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
    2.1736    1.7550    2.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771    1.0782    1.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419    0.7335    2.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631    0.0793    2.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -0.4967    1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418   -0.4289    0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647   -1.1813    1.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -1.7735    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5186   -0.8216   -0.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5097    0.2576   -0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1782   -0.4095   -0.0265 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.3789    0.3513   -0.9504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9422    0.2531   -0.3126 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -9.1280   -0.9692    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1159   -0.2542   -1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4667    1.9840    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1773   -2.0849   -0.3165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5950   -2.5433   -1.8847 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.7403   -1.1613   -3.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3017   -3.7689   -2.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2182   -3.4944   -1.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818   -0.1634    1.6450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0922    1.3961    2.1873 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.3650    1.8525    3.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1638    2.6594    0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4100    1.4147    3.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    0.8020    0.5137 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    1.1466   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    0.5269    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7519    0.8513   -0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2415   -0.0249   -0.1458 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.7173    0.5749   -0.6694 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7592    1.2417   -2.2165 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.6584    0.4139   -3.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3804    3.0884   -2.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5359    1.0956   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649   -0.0011    1.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6022    1.4159    2.2882 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.9771    2.9687    1.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9906    1.3953    4.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    1.5159    2.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963   -1.6770   -0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4547   -2.6137   -0.2664 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.8323   -4.2483    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4878   -3.0153   -1.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4969   -1.8315    1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273    1.1019    3.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6026   -0.0446    3.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604   -2.4118    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4591   -2.5067   -0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8577   -1.3622   -1.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -0.3169   -1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6401    0.8649   -1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1088    0.9632    0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3212   -0.4201    1.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0387   -1.6234    0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2577   -1.6168    1.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8346    0.1802   -2.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1535    0.0763   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1594   -1.3539   -1.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5688    2.0314    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1955    2.1188    1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9771    2.6974   -0.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8052   -0.9252   -3.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1860   -0.2560   -2.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3378   -1.5133   -4.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8130   -4.5565   -3.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5532   -3.2297   -3.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8520   -4.2548   -1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7978   -3.1531   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0043   -4.5597   -1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8567   -3.3141   -2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2903    1.2831    3.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5685    2.9566    3.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9635    1.5325    4.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0161    3.3327    1.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1693    2.2156   -0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2409    3.2868    0.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0971    0.3654    3.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5009    1.9411    3.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7121    1.9737    2.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3860    2.2581   -0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904    0.7607   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8503    0.8143    1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148   -0.5885    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4928    0.4860   -1.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8740    1.9346   -0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    0.2007   -4.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2658   -0.5603   -3.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8262    1.1136   -3.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8783    3.5171   -3.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8940    3.5456   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3114    3.2832   -2.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    0.1189   -3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2605    1.1783   -2.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6643    1.8725   -3.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    2.9639    1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1308    3.8028    2.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337    3.2853    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4494    0.5463    4.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410    2.3673    4.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815    1.2327    4.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8759    0.7193    3.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9245    1.3435    1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7725    2.4763    2.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6631   -4.9516    0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9796   -4.5899   -0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667   -4.0097    1.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852   -2.3593   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8755   -4.0654   -1.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715   -2.9418   -2.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0517   -0.9537    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8909   -1.6035    1.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574   -2.5885    1.4414 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