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
-2.5488 0.3095 2.9063 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9831 -0.4547 2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7608 -0.0380 1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1679 -0.8329 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -0.4253 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5679 0.6987 0.0791 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6665 -1.2655 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8345 -0.8882 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0086 -0.6152 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1922 -0.2189 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6976 0.1347 -0.6227 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5783 -1.3255 -0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7283 -1.6146 -1.5460 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.8576 -2.0453 -3.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7465 -3.0998 -1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8949 -0.1845 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7217 1.1892 -1.4802 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1631 2.7866 -1.5569 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6539 3.2196 -3.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5717 3.9030 -0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7468 3.0806 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2029 0.8051 0.8538 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7330 -0.0541 2.2142 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.7848 -1.6747 2.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5706 -0.3556 2.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3063 0.9805 3.7329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5710 -1.6841 1.8665 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7484 -2.1421 2.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9427 -1.2689 2.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1233 -1.2900 0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5701 -0.2555 0.1181 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.0415 -1.0841 0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9435 -2.7251 -0.2322 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.7566 -3.0679 -1.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6611 -3.2507 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5381 -3.8053 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2714 0.1299 -1.5495 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8016 1.7493 -1.7489 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.8999 2.4430 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6427 1.8442 -3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3324 2.7588 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6314 1.1843 1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2120 1.4394 1.6877 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.4691 0.4951 3.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3791 3.2605 2.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5317 0.9329 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3690 0.9416 1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -1.7974 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 -1.6812 -2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6118 0.0250 -2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8173 0.2383 -0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3335 -1.5122 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4323 -0.9970 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9782 0.7244 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0199 -2.7369 -2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4926 -1.1375 -3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5478 -2.6389 -3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2792 -3.4532 -1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4733 -2.7296 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1130 -3.8862 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5825 0.3851 -2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9228 -0.5431 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9416 0.4845 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5511 3.1097 -3.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9587 4.2646 -3.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0931 2.4967 -4.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8038 3.5550 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2575 4.9440 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4690 3.7257 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1922 3.1321 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9758 2.3110 -0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3021 4.0710 -0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7019 -1.3867 2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0521 -2.3988 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0278 -2.1314 3.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0489 0.3459 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0144 -0.0851 3.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8046 -1.4006 1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9074 1.9079 3.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6479 0.3966 4.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2289 1.1825 3.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9484 -3.1686 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6120 -2.2722 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7720 -0.2738 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8186 -1.6971 2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2044 -0.7816 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1272 -2.2989 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1432 -2.1844 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1109 -3.9577 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2836 -3.3710 -2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3834 -2.6894 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7951 -2.9115 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7761 -4.3400 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1079 -4.7568 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4661 -4.0805 1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6624 -3.2661 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4522 1.6507 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5332 3.1418 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0192 3.0676 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5911 1.9313 -2.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6838 0.8927 -3.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9549 2.6538 -3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6071 3.4412 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1893 2.0843 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1565 3.3900 -3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9696 -0.4717 3.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4637 0.3824 3.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0887 1.0598 4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5462 3.8644 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1317 3.4376 2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3842 3.5795 2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0408 -0.0126 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3261 1.7035 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1304 0.8492 -0.5713 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