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
-2.6965 -0.2963 1.3957 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9179 -0.1654 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4690 -0.1460 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4081 -0.0162 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8455 0.0050 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6072 0.1251 -1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4254 -0.0963 1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8044 -0.0954 1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 -1.2783 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9384 -1.3335 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7492 0.1835 0.4679 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9558 0.6441 -0.9887 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5989 -0.0675 -2.3733 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9372 -1.8060 -2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9429 0.8986 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4466 -0.0218 -2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4242 1.4627 1.6000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6320 2.6429 1.6273 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.0333 2.2615 2.7977 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2969 2.9767 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8404 4.2326 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4173 0.1014 0.2945 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2134 -1.1797 1.0356 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.8862 -1.2158 2.8513 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0688 -0.8464 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9090 -2.8310 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4140 -0.0458 -0.8445 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7808 -0.0732 -1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3776 -1.3899 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8306 -1.5294 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9482 -0.3380 -0.2177 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4608 1.2516 -0.5956 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9646 1.8736 -2.0642 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1196 3.3270 -1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7336 0.7029 -3.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4221 2.6358 -2.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5629 -0.6224 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7179 0.2370 0.1906 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.9283 1.4120 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7396 1.2390 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8680 -0.9297 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8196 -0.4979 1.4856 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0581 -2.0351 2.1035 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.4184 -2.8713 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0784 -3.1519 1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9700 -1.8804 3.7656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1207 -0.2384 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0177 0.0740 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2367 0.8536 1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9279 -0.0520 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9416 -2.1969 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2712 -1.2315 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3734 -2.2716 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9945 -1.3879 2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8634 -1.7946 -2.8365 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0065 -2.3794 -1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4924 -2.4044 -3.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5197 0.5543 -4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8638 0.7788 -3.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2648 1.9465 -3.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8139 -1.0564 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9281 0.7544 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7916 0.1463 -3.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7471 1.6704 3.6646 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4794 3.2134 3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8637 1.8107 2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5619 4.0662 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2443 2.4158 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5896 2.6689 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1385 4.6249 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3241 4.0155 3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6513 4.9937 2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8128 -2.2734 3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0328 -0.5850 3.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7678 -0.7942 3.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6402 -1.7057 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3676 0.0649 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2514 -0.6341 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8517 -3.3646 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2325 -2.7583 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4038 -3.4785 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9794 0.1138 -2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2757 0.7380 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8553 -2.2438 -1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2006 -1.5915 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9375 -1.3449 -2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1643 -2.5903 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3665 3.3855 -0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6223 4.2775 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0326 3.2615 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0086 0.5370 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9210 -0.2941 -2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6336 1.1256 -3.7636 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9757 1.8687 -3.5463 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7281 3.5298 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6789 2.9142 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8823 1.6353 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5424 2.3499 1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9646 0.9340 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2924 1.2559 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8982 2.2327 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7356 0.7276 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9173 -0.6614 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7175 -1.9653 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7377 -0.7791 2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6095 -3.5797 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7217 -2.0479 2.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0702 -3.3895 1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0319 -3.4629 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5343 -4.1366 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2837 -2.7155 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0315 -1.7521 3.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5569 -1.0000 4.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7682 -2.8304 4.3331 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