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
   -1.6418    0.6179    0.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779   -0.0845    1.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -1.0338    1.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4819   -1.8492    1.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -1.9213    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009   -1.0968   -0.4194 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234   -2.8298    0.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334   -2.8461   -1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -1.5249   -1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436   -1.6388    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7857   -0.1856    0.3764 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.8266    1.2179    0.1358 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475    2.0752   -1.2753 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.1506    3.6573   -1.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    1.1435   -2.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9579    2.5102   -1.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2701   -0.2463    2.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195    0.9450    2.5311 Si  0  0  0  0  0  4  0  0  0  0  0  0
    8.8418    1.1791    1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5047    2.6330    2.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    0.4505    4.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0780   -0.3192   -0.6896 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7410   -1.8496   -0.9118 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.8730   -2.8317   -2.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000   -2.7820    0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5083   -1.5774   -1.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3402    0.2375    2.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3952    1.1166    3.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6512    0.7896    2.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5738    0.6893    0.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3285    0.3363    0.1847 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.9382   -1.0294    0.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0956   -2.4679    0.7701 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.3973   -3.1004    2.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3566   -3.7653    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7485   -2.4396   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2980    1.6882    0.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7445    3.1202   -0.2224 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.8456    4.1754    1.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6045    2.9476   -1.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2665    4.0871   -0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1660   -0.0136   -1.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6318   -0.3739   -2.2449 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -9.0337   -0.1929   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5785   -2.1276   -2.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9031    0.8038   -3.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804   -1.4904    3.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8856   -2.5814    2.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6981   -3.6294   -0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -2.9676   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949   -0.6631   -0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216   -1.5720   -2.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9388   -1.5996    1.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1170   -2.6153    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517    3.8239   -2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.5183   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    3.6809   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8006    1.8891   -3.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.8862   -2.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603    0.3074   -3.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000    2.9036   -0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957    3.3431   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6017    1.6743   -1.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2568    2.1813    1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6966    1.1574    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6416    0.4496    1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3274    3.2879    3.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6979    2.6199    3.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2244    3.0204    1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    0.7673    4.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9258   -0.6681    4.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9196    0.8275    4.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0880   -3.4389   -1.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3838   -2.1296   -2.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5502   -3.5475   -2.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8734   -3.0847    0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5416   -2.1196    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1870   -3.7091    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0187   -0.8590   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4086   -1.0674   -2.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0490   -2.5336   -1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5966    1.2995    4.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376    2.1519    2.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0250   -0.2250    2.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4868    1.4649    2.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966   -0.2471    0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121    1.5220    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2916   -3.1763    2.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7606   -2.4515    3.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8173   -4.1082    2.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3664   -3.3288    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1092   -4.1554   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3677   -4.6287    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8148   -3.3385   -1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7627   -2.5644    0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7502   -1.5726   -1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2386    3.5531    1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5273    4.8661    1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0922    4.8487    0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1911    1.9477   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1011    3.3374   -2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7050    3.6220   -1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1010    3.8064   -0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0683    5.1600   -0.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5427    3.7103   -1.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1440    0.8358   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9644   -0.4690   -1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8970   -0.9349   -0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6941   -2.0773   -4.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3914   -2.7231   -2.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5880   -2.5755   -2.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9703    0.2379   -4.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8479    1.3634   -3.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0649    1.4942   -3.7319 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