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
-1.1906 -1.5288 1.8508 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4722 -0.4373 1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5351 0.5611 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7577 0.5562 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6024 -0.4628 1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2262 -1.5362 2.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0127 -0.2283 1.4777 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8672 -1.2371 2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3045 -0.7860 1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6070 -0.5688 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3662 -0.0105 0.1477 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1492 -1.1716 -0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3821 -2.6716 -0.1054 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.0348 -2.5680 1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6500 -3.6621 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8188 -3.6903 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2275 0.0868 1.6114 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2356 1.6118 2.3326 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2251 2.8882 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0043 2.2682 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6143 1.4819 4.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3309 1.5013 -0.6704 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2866 1.4745 -2.0870 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.1031 1.5108 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9244 3.0057 -3.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8849 -0.0018 -3.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8545 -0.2268 1.1281 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7659 -1.2163 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1709 -0.7768 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3769 -0.5416 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1457 -0.0046 -0.5256 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4066 1.5419 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6165 2.7660 -1.0449 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.4572 2.2305 -2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7119 4.0866 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0235 3.6187 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4459 -0.0963 -2.1928 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1406 -1.5415 -2.7170 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.9222 -1.1822 -3.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0981 -2.9198 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2160 -2.1003 -4.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1535 -1.1502 0.2539 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0813 -0.4996 1.5071 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.2000 0.8743 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0108 0.0427 2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1705 -1.8963 2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0064 1.4636 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2727 1.4701 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -1.4744 3.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7364 -2.1353 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4739 0.1583 2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9884 -1.5820 2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3936 -1.4758 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9215 0.2417 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0312 -2.0822 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2265 -3.6160 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3160 -2.1146 2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5337 -3.4397 -2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4425 -4.7421 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6741 -3.4703 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2214 -3.5514 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2115 -3.5037 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1438 -4.7700 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0052 3.6967 2.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8329 3.3535 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2489 2.5463 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4341 1.9840 3.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5683 1.7453 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0211 3.3671 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3317 1.9413 4.8144 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5372 0.4143 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6047 1.9498 4.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3940 0.5326 -1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2366 2.3144 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6456 1.7938 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8718 3.4359 -3.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4746 3.8148 -2.4844 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2080 2.8033 -3.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6914 -0.7691 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9834 -0.4748 -2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7917 0.2884 -4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6346 -1.3410 2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5322 -2.2113 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8471 -1.5839 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3572 0.1711 1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6490 0.1859 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2386 -1.5145 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2908 1.5372 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9282 3.1539 -3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7352 1.8905 -3.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6478 5.0379 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4820 4.1687 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7560 3.6594 -0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3167 4.6107 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4707 3.0888 -2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4050 3.8746 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4612 -0.8714 -2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8854 -0.3144 -3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3829 -2.0569 -3.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0888 -3.8836 -2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0269 -2.9931 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1758 -2.9161 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2573 -2.5316 -3.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0553 -1.2372 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8210 -2.9097 -4.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5017 0.8461 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1630 0.8171 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7572 1.8582 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4634 0.9725 2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3517 -0.7601 3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6983 0.3118 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5097 -2.7194 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8198 -1.5527 2.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8099 -2.2949 1.3195 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