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
2.0065 -2.5294 2.2744 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9750 -1.4447 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8104 -1.1582 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1544 -2.0487 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3111 -1.7855 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4054 -0.7193 -0.7639 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3317 -2.6899 -0.1812 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5019 -2.5795 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3523 -1.3746 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6036 -1.3232 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6085 0.1636 -0.9456 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.3860 1.3972 -2.0819 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6087 2.7881 -1.5734 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.4848 2.6310 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9378 4.0674 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6571 3.5250 -3.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2789 -0.2636 -0.9901 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5830 -1.9203 -0.8830 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6761 -2.7755 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2564 -2.8103 -2.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4336 -2.1113 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1867 0.6154 0.6537 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5031 1.1214 1.5922 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.8910 2.5302 2.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9925 -0.2672 2.7417 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9764 1.6614 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0237 -0.5813 1.7830 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1788 -0.7811 2.5666 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9155 -1.9824 2.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2989 -1.7202 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4178 -0.2224 0.5291 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.4869 -0.3884 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7891 -1.4033 1.5772 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.1005 -1.8074 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5937 -3.0260 2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3329 -0.5765 2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4491 1.1526 0.6207 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2699 2.5839 1.0094 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.4415 2.6845 2.8876 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1874 4.0218 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9087 2.7649 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2376 -0.2754 -0.9759 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1977 -0.1471 -2.2916 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6232 -1.8171 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7046 0.9052 -2.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1632 0.6463 -3.7079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7289 -0.2477 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1000 -2.9754 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2616 -2.5013 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0945 -3.5132 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7146 -0.4907 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5873 -1.3906 0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2460 -1.1544 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1596 -2.2764 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1798 1.6253 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8694 3.2232 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5159 3.1682 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8638 3.8560 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2098 4.0436 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6125 5.0797 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1235 4.4204 -2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4289 3.8293 -3.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0282 2.7563 -3.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2928 -3.7399 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8076 -2.2048 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3770 -3.0531 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7924 -3.8060 -2.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2271 -3.0055 -2.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6880 -2.1764 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7994 -1.2661 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6338 -3.0938 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9362 -2.0359 -1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8093 2.4285 2.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1027 3.5106 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3999 2.4888 3.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8332 -0.8612 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2721 0.1771 3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1170 -0.9152 2.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7399 1.9375 -0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5046 2.4785 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6968 0.8122 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8424 -1.0295 3.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8070 0.1190 2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2502 -2.8583 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8355 -2.1176 2.6387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3570 -1.4980 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7646 -2.5967 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4710 -0.9248 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2795 -2.3446 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9786 -2.5198 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8402 -3.6825 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5974 -3.5233 2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3745 -2.8032 3.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0267 0.1637 3.0545 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9972 -1.2917 2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8438 0.0109 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3468 3.2948 3.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5237 3.0902 3.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6724 1.6514 3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0049 3.9739 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2358 4.0381 1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7488 4.9881 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1013 2.0476 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7053 2.7106 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0420 3.7835 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3592 -2.6088 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5562 -1.8037 -4.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6295 -2.0347 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0691 0.5961 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0656 0.8110 -2.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9570 1.9845 -1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5425 1.6195 -3.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0265 0.0489 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4524 0.8477 -4.5374 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