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
1.8839 -2.1186 2.1130 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4757 -0.9071 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0684 -0.5906 2.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7877 -1.5410 2.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 -1.1719 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5453 0.0323 2.6518 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1422 -2.1111 2.9995 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4866 -2.0504 3.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3900 -1.7843 2.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1261 -0.5067 1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4425 -0.3264 0.0122 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9792 1.2972 -0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7960 2.3535 -0.6979 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.8529 1.6369 -2.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6445 2.9524 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6907 3.8861 -1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7922 -1.2671 0.4872 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9679 -0.2875 1.2555 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.9737 0.6060 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1327 -1.4326 2.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1865 0.9108 2.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7721 -0.8870 -1.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7748 -1.9812 -2.2777 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.4156 -1.1985 -2.6742 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9926 -3.5911 -1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9427 -2.3683 -3.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4297 0.0519 1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7979 -0.1801 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9766 -1.0282 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4478 -1.3407 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3169 0.2699 -0.2110 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.5655 1.0214 1.3151 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9589 0.4871 2.1044 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1978 1.5172 3.6413 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4915 0.6487 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8109 -1.2986 2.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7265 0.1635 -1.1181 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9710 -1.1997 -2.0633 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.6035 -0.9127 -2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6885 -1.5272 -3.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2487 -2.7543 -1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1979 1.2639 -1.0712 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8639 2.7826 -1.4615 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.4900 3.8284 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1630 2.5691 -2.7896 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5273 3.6727 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 0.4273 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5110 -2.5908 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7975 -3.0343 3.7165 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6531 -1.2553 4.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3606 -2.6373 1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4421 -1.7167 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1300 -0.6398 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1584 0.3440 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4037 2.4322 -2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5560 1.0629 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1024 0.8967 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4048 4.0381 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1633 2.8443 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7043 2.4027 0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3891 4.1901 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3149 3.6564 -2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9999 4.7238 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3434 1.0334 -0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6091 1.3960 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6965 -0.0843 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8271 -1.9125 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5683 -2.1654 2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7516 -0.7639 2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9082 1.8701 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3450 0.4626 2.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9639 1.1385 3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2847 -0.0989 -2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1271 -1.4705 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7663 -1.5444 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1312 -4.2404 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2258 -3.4607 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8986 -4.0924 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2225 -3.3960 -4.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8593 -2.3496 -3.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2257 -1.6064 -4.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2270 -0.6211 2.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2682 0.8244 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5785 -0.4853 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4313 -1.9598 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3982 -1.8511 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9024 -1.9852 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3269 1.3541 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0916 1.1703 4.1996 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3848 2.5691 3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9038 -0.3279 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3183 1.3306 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3224 1.1475 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0927 -1.9943 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4646 -1.4736 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7863 -1.5327 3.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8772 -1.8958 -3.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5083 -0.1409 -3.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3819 -0.6877 -2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2400 -2.5395 -3.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1126 -1.5469 -4.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8444 -0.8005 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9985 -2.5997 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7443 -3.4818 -1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3351 -3.2413 -0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2447 3.4978 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5999 3.6442 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7105 4.9114 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7828 1.7825 -3.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1494 2.3114 -2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1817 3.5103 -3.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0188 3.3782 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3812 4.7723 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6211 3.5129 0.0568 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