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
   -1.7616    1.0628    1.2388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.5800    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727    0.0423   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    0.0473    0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023   -0.4725   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -0.9294   -1.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0084   -0.4792    0.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2901   -0.9403    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   -0.1142   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2065   -0.5127   -1.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5414   -0.3308   -0.0705 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.9841   -0.4437    1.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3767    0.8964    2.4899 Si  0  0  0  0  0  4  0  0  0  0  0  0
    9.1989    0.7974    2.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3462    0.9547    4.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0700    2.4659    1.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7925   -1.4938   -0.2559 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2311   -3.0640   -0.5489 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.7524   -3.5327    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9155   -3.3276   -2.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6431   -4.2316   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3209    1.2142   -0.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7720    1.1245   -1.0884 Si  0  0  0  0  0  4  0  0  0  0  0  0
    9.4730    0.7768   -2.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414   -0.1548   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5683    2.8314   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    0.5605   -0.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1274    1.0246   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6279    0.3134    0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9919    0.7106    1.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3716    0.3993    0.2001 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.0310    1.1577   -1.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5266    2.7451   -1.4622 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -8.0985    3.6153    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8016    2.8128   -2.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0369    3.7208   -2.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8118    1.0926    0.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2312    0.4781    0.1397 Si  0  0  0  0  0  4  0  0  0  0  0  0
  -11.3631    1.9313   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1282   -0.5054    1.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9983   -0.5138   -1.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5815   -1.2681   -0.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6370   -2.2831    1.1985 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -8.9055   -3.6339    0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1559   -1.5003    2.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9941   -3.1932    1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858   -0.3461   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5664    0.4414    1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610   -2.0327   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855   -0.9182    1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8761    0.9654   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060   -0.1554   -1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -1.5497   -1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4022    0.1013   -2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7458    1.4033    2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3613    1.1945    3.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4886   -0.2726    2.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1933   -0.0459    4.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3766    1.4430    3.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8518    1.6560    4.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4778    3.2028    2.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546    2.3127    0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0186    2.9797    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5035   -2.6854    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9658   -4.4271    1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8748   -3.8041   -0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456   -4.0125   -2.8204 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0302   -2.3594   -2.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -3.6908   -2.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   -4.3415    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6134   -3.7777   -0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4668   -5.2165   -0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8771    1.5948   -3.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8922   -0.1384   -3.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4470    0.7388   -3.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6686   -0.4177    0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9638    0.2864   -0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9731   -1.0812   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    3.5653   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0236    3.0140   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3074    2.9577   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132    2.1273   -0.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7878    0.9499   -1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5870   -0.7920    0.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161    0.5415    1.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9429    1.8328    1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1591    0.2938    2.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8140    3.1555    1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6675    4.6629    0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2077    3.8175    0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3668    1.8625   -2.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4760    3.6755   -2.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3005    2.9210   -3.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3917    4.0205   -1.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4157    4.6208   -2.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5057    3.1040   -2.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4097    1.5049   -0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2842    2.7131    0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1795    2.2358   -1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0187   -0.0168    2.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2367   -0.4773    1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8534   -1.5735    1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6764   -0.1554   -2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9782   -0.4632   -1.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3282   -1.5824   -1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3697   -3.4936   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7139   -3.6648    1.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4519   -4.6383    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2633   -1.5369    3.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9791   -2.0646    3.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3907   -0.4431    2.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3146   -2.6279    2.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1972   -4.2142    1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835   -3.3103    0.3727 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