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
1.2395 1.2343 -1.5893 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2610 -0.0197 -1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 -0.7287 -1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1157 -0.0280 -2.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.7018 -2.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3757 -1.9389 -2.4486 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5859 0.0083 -2.3144 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8241 -0.6502 -2.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0885 -1.6821 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1579 -1.2350 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5385 -0.0719 0.3243 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6548 -0.8073 1.3549 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1648 -2.1675 2.2076 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.6280 -1.7836 3.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4893 -2.6469 3.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8827 -3.6799 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2781 0.4593 -1.1308 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9129 0.0237 -1.2345 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.9992 -1.7383 -1.8995 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8087 1.0981 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8218 0.1080 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8912 1.2816 1.1854 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1931 2.7735 0.4695 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.1177 4.1195 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9594 3.2752 0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9323 2.8271 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4619 -0.6924 -1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7008 -0.0210 -1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 0.6551 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9530 1.3957 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5066 0.4177 0.3263 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6010 -0.7484 -0.8618 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1971 -2.2561 -0.3749 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1008 -3.0213 -1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3586 -2.2041 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8012 -3.4479 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6445 -0.1755 1.9183 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4012 0.9423 2.9277 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6115 2.6374 2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5448 1.0637 4.5957 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1361 0.2823 3.2999 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8618 1.4842 0.1024 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4795 1.4429 -1.4692 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.9630 3.2159 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0349 0.4182 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2110 0.9178 -2.7343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0069 -1.8064 -2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0771 1.0357 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6242 0.0882 -2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7760 -1.1850 -3.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4400 -2.5972 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1204 -2.0993 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1572 -0.6890 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1615 -2.0662 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7627 -2.4180 2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3915 -0.6934 3.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8226 -1.8991 4.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4393 -2.8839 2.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1760 -3.5668 4.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6773 -1.7973 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9470 -3.5072 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6558 -4.4662 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9208 -4.1470 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7407 -2.4159 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0303 -1.9407 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2995 -1.8223 -2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8760 0.7864 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4511 0.8576 -3.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6999 2.1695 -2.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8935 -0.9313 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3642 0.7582 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8707 0.4896 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3024 5.0345 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0644 3.8422 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4596 4.3421 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6176 3.0941 -0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0219 4.3829 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3336 2.8208 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0627 2.1893 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7998 2.5551 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6742 3.8823 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8317 0.7520 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4597 -0.8135 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8766 1.4184 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4175 -0.0580 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7696 2.0083 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0626 2.1935 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6191 -2.7168 -2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1006 -4.1278 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1485 -2.6110 -1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8931 -3.2016 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1379 -1.4422 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8267 -2.2043 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2538 -4.4704 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0111 -3.3775 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4727 -3.3140 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5618 3.3673 3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8648 2.9896 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6223 2.8321 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5103 1.4413 4.4679 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1031 1.8612 5.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6255 0.1382 5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7770 0.3957 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0519 -0.7734 3.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5709 0.8325 4.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4786 3.6720 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0594 3.7934 -2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5830 3.1416 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0018 -0.5157 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2201 0.2860 -2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8993 1.0239 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3998 -0.1606 -2.9748 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1823 1.1253 -2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3403 1.4821 -3.6979 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