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
    0.3402    1.0787   -0.1288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0766    0.1585   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264   -1.2497   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5781   -1.4070   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -1.6015    0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349   -2.7052    0.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906   -0.4832    1.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325   -0.6394    1.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5675    0.6812    1.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530    1.1094    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5668   -0.0780   -0.1021 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.0963   -0.6939   -1.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1903   -1.6752   -2.4169 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.9985   -2.9757   -1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5068   -0.7514   -3.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1920   -2.6758   -3.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5228   -1.3583    1.0027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7150   -1.5886    2.1111 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.1538   -0.8997    3.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8658   -3.4660    2.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3807   -0.9020    1.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0017    0.7728   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9929    2.4471   -0.0690 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.3224    3.2251   -1.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3086    3.2504    1.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8478    2.9449   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3618    0.4292   -0.9107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9610    1.7066   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4674    1.5588   -1.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0388    0.6785   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8635    0.3987   -0.1617 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.1437   -1.2653   -0.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6776   -2.0433   -1.6652 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.1990   -0.9783   -3.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2848   -3.2106   -1.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551   -3.1045   -2.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6493    1.3294   -1.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2763    2.7978   -0.7511 Si  0  0  0  0  0  4  0  0  0  0  0  0
    8.0437    4.0614   -2.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    3.3999    0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0836    2.7171   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5896    0.8976    1.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7518   -0.2690    1.8536 Si  0  0  0  0  0  4  0  0  0  0  0  0
   10.0225   -0.5615    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9733   -1.8838    2.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6007    0.4120    3.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358   -1.9914   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029   -2.7839   -0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7209   -0.9860    2.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3822   -1.3822    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7869    1.4761    1.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2963    0.6707    2.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    2.1306    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828    0.9847   -0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9293   -2.5948   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2901   -3.3900   -0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3058   -3.8105   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4235   -0.7515   -2.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2022    0.2719   -3.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7128   -1.3030   -4.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6499   -3.4494   -3.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4108   -2.0331   -4.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8414   -3.1599   -4.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7264   -1.3706    4.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0729   -1.1294    3.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2913    0.2013    3.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6603   -3.6339    3.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9528   -3.7274    2.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1397   -4.0220    1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4586    0.1855    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8067   -1.3105    0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0805   -1.2776    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4237    2.7024   -2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1052    4.2822   -1.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1233    3.1344   -2.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0452    3.8513    2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4544    3.9383    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8651    2.5170    2.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9024    4.0136   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1780    2.8662    0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3885    2.3126   -0.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    2.3264   -1.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092    2.2146    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    2.5456   -1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5629    1.1688   -2.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7526    1.0771    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4623   -0.2820   -0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5805   -1.4546   -4.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1011   -0.9335   -3.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6786    0.0160   -3.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071   -2.7618   -0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -3.2241   -2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6946   -4.1964   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0041   -2.4758   -2.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295   -3.7129   -1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8389   -3.8034   -3.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    4.9715   -1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9452    4.2644   -2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    3.6069   -3.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    4.4643    0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8536    3.2726    1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3078    2.8518    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5703    3.7184   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2134    2.5336    0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5911    1.9962   -0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3844   -1.6140    0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9006    0.0966    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6281   -0.4578   -0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5969   -2.4157    3.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747   -1.7486    2.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9082   -2.5904    1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    1.4557    3.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9855    0.2710    4.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5227   -0.2003    3.5308 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