Monomers

Fumaric acid bis[3-[tris(trimethylsiloxy)silyl]propyl] ester

Identifiers

IUPAC name
bis[3-tris(trimethylsilyloxy)silylpropyl] (E)-but-2-enedioate
InchI
InChI=1S/C28H68O10Si8/c1-39(2,3)33-45(34-40(4,5)6,35-41(7,8)9)25-19-23-31-27(29)21-22-28(30)32-24-20-26-46(36-42(10,11)12,37-43(13,14)15)38-44(16,17)18/h21-22H,19-20,23-26H2,1-18H3/b22-21+
InchI Key
PBTFWLWNVIYIIR-QURGRASLSA-N
SMILES
O=C(/C=C/C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Canonical SMILES
C[Si](C)(C)O[Si](CCCOC(=O)C=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Isomeric SMILES
C[Si](C)(C)O[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C28H68O10Si8
Heavy Atom Count
46
Molecular Weight
789.53
Exact Molecular Weight
788.2967
Valence Electrons
272
Radical Electrons
0
tPSA
107.98
MolLogP
8.396
H Bond Acceptors
10
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

114113  0  0  0  0  0  0  0  0999 V2000
   -2.7099    3.4076    0.1874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8376    2.9907   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253    3.3240   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462    2.9296   -1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9249    3.2323   -0.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956    3.8731    0.2700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9783    2.8601   -1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    3.1997   -1.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2488    2.6538   -2.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1181    1.1447   -2.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258    0.5374   -0.6967 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.6556    1.7723    0.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375    1.5365    1.5968 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.6955    2.0754    2.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5371   -0.1981    2.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5763    2.6922    1.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3334    0.3278    0.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359   -1.2052    0.1875 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.6519   -1.9082   -1.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8434   -1.0756    0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5584   -2.3883    1.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5110   -0.9475   -0.7935 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8672   -1.0810   -1.7355 Si  0  0  0  0  0  4  0  0  0  0  0  0
    8.1892    0.2328   -2.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8272   -2.7347   -2.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3790   -1.1798   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    2.3040   -1.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156    1.8881   -2.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0807    0.8318   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5093    1.1070   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6173   -0.3259    0.4241 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.6728   -1.4369    1.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0672   -1.5301    2.9532 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.9085   -1.4478    3.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1729   -0.2523    3.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5108   -3.2344    3.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7900    0.3643    1.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9148    1.3587    0.7014 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.6145    3.1782    1.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0299    1.1012   -1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6108    0.9597    1.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2848   -1.0504   -0.9514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1759   -2.7354   -1.0088 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.6067   -3.5571   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5906   -3.4318   -0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3309   -3.2475   -2.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    3.8719    0.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974    2.3711   -1.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459    2.7144   -0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    4.2779   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8727    3.0268   -3.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2870    2.9230   -2.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154    0.9332   -2.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979    0.6362   -3.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874    1.2498    2.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1625    2.4432    3.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2504    2.9652    2.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0645   -0.9814    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538   -0.3297    2.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218   -0.4310    3.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    2.1136    2.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2911    3.4699    2.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9269    3.2385    1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078   -2.0720   -1.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1527   -1.2879   -2.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1781   -2.9125   -1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2337   -0.8853   -0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387   -2.1039    1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924   -0.3153    1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9494   -1.8546    2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8726   -3.1839    1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4676   -2.7834    0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7881    0.0262   -3.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3080    0.2987   -3.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8807    1.2383   -2.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733   -2.9163   -3.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225   -2.8234   -3.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7391   -3.5194   -1.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502   -1.5636   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1850   -1.8481    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552   -0.1667   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0168    2.8086   -2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721    1.5852   -3.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4538   -0.1313   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9423    0.4952   -2.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993    1.0545    0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    2.0442    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4624   -1.7015    2.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1566   -0.4472    3.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2554   -2.2038    3.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5990    0.7579    3.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2705   -0.5563    5.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0878   -0.2920    3.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498   -3.4986    3.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3190   -3.9511    3.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448   -3.1959    4.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5600    3.6878    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1903    3.6804    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8912    3.3317    1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7990    1.8182   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0619    1.3697   -1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3316    0.0726   -1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3975    1.6017    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6424    1.1348    2.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8873   -0.0959    1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3395   -2.7680    0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1275   -4.3032   -0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2749   -4.0711    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2802   -4.3150   -0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7661   -2.6949   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6855   -3.8386    0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8533   -2.4741   -3.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3266   -3.4444   -3.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8987   -4.1941   -2.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 11 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 11 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
  2 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 31 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
 31 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 43 46  1  0
  3 47  1  0
  4 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
  9 52  1  0
 10 53  1  0
 10 54  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 15 59  1  0
 15 60  1  0
 16 61  1  0
 16 62  1  0
 16 63  1  0
 19 64  1  0
 19 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 20 69  1  0
 21 70  1  0
 21 71  1  0
 21 72  1  0
 24 73  1  0
 24 74  1  0
 24 75  1  0
 25 76  1  0
 25 77  1  0
 25 78  1  0
 26 79  1  0
 26 80  1  0
 26 81  1  0
 28 82  1  0
 28 83  1  0
 29 84  1  0
 29 85  1  0
 30 86  1  0
 30 87  1  0
 34 88  1  0
 34 89  1  0
 34 90  1  0
 35 91  1  0
 35 92  1  0
 35 93  1  0
 36 94  1  0
 36 95  1  0
 36 96  1  0
 39 97  1  0
 39 98  1  0
 39 99  1  0
 40100  1  0
 40101  1  0
 40102  1  0
 41103  1  0
 41104  1  0
 41105  1  0
 44106  1  0
 44107  1  0
 44108  1  0
 45109  1  0
 45110  1  0
 45111  1  0
 46112  1  0
 46113  1  0
 46114  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers