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
-2.8455 -1.9403 -0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0006 -1.3019 -0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6165 -1.7350 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2905 -1.0708 -1.6327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6822 -1.5426 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5290 -0.9083 -2.3534 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0814 -2.6635 -1.0336 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3076 -3.2790 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4090 -2.6252 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8866 -1.2995 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3591 -0.7148 0.4405 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.8320 0.1586 1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0609 1.6277 1.4855 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.6534 1.9439 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4091 1.5499 2.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9835 3.0895 2.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2707 0.3091 -0.5531 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6734 0.9459 0.1378 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.9237 0.4823 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5721 2.8276 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1799 0.4026 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 -2.0596 1.0402 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1288 -2.9152 -0.0819 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.7060 -2.5390 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9786 -2.7621 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7398 -4.7542 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3871 -0.1674 -1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6865 0.3786 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7368 -0.5037 -2.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0700 0.2359 -2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4232 0.5716 -0.2377 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.8061 -0.7618 0.6380 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7240 -2.1732 0.5028 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.5736 -3.6436 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9614 -2.1758 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6046 -2.5628 2.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0874 0.7412 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3924 1.2660 1.6496 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.6659 0.1265 2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1251 3.0093 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8875 1.2583 2.7287 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6408 2.0025 0.2248 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0962 3.3782 -0.6487 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4954 3.1119 -1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5893 3.9237 -1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4783 4.8081 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3199 -2.6312 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0318 -0.1808 -2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0797 -4.3131 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6264 -3.5722 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2627 -3.3525 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0100 -2.4908 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1336 -1.2520 -1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1071 -0.5145 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 1.7981 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7901 3.0497 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2982 1.4507 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9868 2.5807 2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6353 1.2116 3.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7318 0.8297 1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2270 3.8334 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3182 3.6508 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8813 2.8050 2.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9736 0.1579 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7967 1.3663 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2757 -0.3573 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6233 3.2827 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6218 3.1504 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3851 3.2229 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0103 0.0839 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8572 -0.3868 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5324 1.2459 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5699 -1.4573 -2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7409 -3.0330 -2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5026 -2.9344 -2.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4259 -3.7039 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1747 -1.9962 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5164 -2.5310 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6377 -5.3708 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4189 -4.9355 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9070 -5.0636 -0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6151 1.2736 -2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9448 0.6128 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8630 -1.4243 -1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5769 -0.7268 -3.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8603 -0.3530 -2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9357 1.1673 -2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1783 -4.5544 0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7100 -3.6336 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3172 -3.7085 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5033 -1.2304 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7435 -2.9237 -0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4972 -2.5579 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2723 -1.8114 2.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6872 -2.5651 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3316 -3.5460 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1931 -0.4297 3.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4892 0.7487 2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0413 -0.6003 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1294 3.0211 2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4981 3.6870 2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2420 3.3741 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6668 2.3001 3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9742 0.9024 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0343 0.6312 3.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1469 3.3352 -2.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2563 3.9279 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9552 2.1191 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7055 3.5263 -2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6704 3.4622 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5716 5.0104 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2289 4.4880 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5496 5.0689 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9099 5.7164 0.2326 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