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
0.0938 -0.4465 -2.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7248 -1.3816 -2.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1611 -2.6726 -1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0177 -3.1559 -1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1366 -2.4523 -2.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 -3.1447 -2.6731 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 -1.1542 -2.9892 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2060 -0.4864 -3.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4283 -0.3274 -2.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1386 0.4036 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6821 0.7339 -0.3446 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9837 0.6548 -1.3765 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4510 0.0655 -0.9243 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.7048 -0.6501 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7605 1.4061 -1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9100 -1.2936 -2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3474 2.3655 0.1738 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6105 3.3002 0.6624 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.8473 4.8379 1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6332 2.4823 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6564 3.9839 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6503 -0.2526 0.9782 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3304 -1.8543 0.9722 Si 0 0 0 0 0 4 0 0 0 0 0 0
-3.4676 -2.1439 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0241 -2.5514 2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0499 -2.9271 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 -1.1165 -1.7103 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6083 0.1737 -1.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0462 0.2759 -1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1484 0.0242 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8840 0.1436 0.5832 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9833 1.6214 1.4603 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2022 1.6379 2.6325 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.0101 3.3222 2.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 1.2987 4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5202 0.3703 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0900 -1.1039 1.7610 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4311 -2.6163 1.0953 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.2657 -2.9489 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5110 -3.9017 2.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9123 -2.8324 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0755 0.0114 -0.5999 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5152 1.4341 -1.3848 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6720 2.9625 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2847 1.1765 -3.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3684 1.6817 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 -3.4162 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1660 -4.2153 -1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8959 0.5041 -3.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5488 -1.0908 -4.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2866 0.0802 -3.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7025 -1.3723 -2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6421 1.3616 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 -0.0930 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1386 -0.2935 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7920 -0.5145 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6112 -1.7781 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9925 1.9498 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7153 0.9520 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4469 2.0926 -2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0098 -1.2556 -2.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7078 -2.2733 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3673 -1.1418 -3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5782 5.3502 2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9954 4.5337 2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4702 5.5258 0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8593 3.1768 2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6201 2.1414 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0682 1.6441 2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4422 5.0509 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5048 3.4432 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7033 3.9709 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9942 -2.2461 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3215 -3.0849 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0762 -1.3204 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3969 -2.2429 3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0846 -2.2380 2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0142 -3.6589 2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8251 -3.6549 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2297 -3.6231 -0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3953 -2.4175 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9648 0.9018 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4823 0.4165 -3.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5930 -0.5315 -2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4984 1.2360 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7915 -1.0122 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4435 0.6781 0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2684 4.1491 2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7972 3.4560 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5534 3.4247 3.7398 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6803 2.0980 4.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1849 1.1936 5.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8411 0.3420 4.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5094 -0.0684 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5125 -0.4160 3.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5452 0.8383 2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4674 -4.0248 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8317 -2.2997 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -2.8173 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9194 -3.8164 3.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4531 -3.5247 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5659 -4.8981 1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2840 -2.0512 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3830 -3.7947 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8100 -2.9997 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2913 3.5323 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6225 2.8399 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6415 3.6642 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8499 1.9582 -3.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7214 0.1861 -3.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2300 1.1968 -3.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6285 2.7397 -1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9574 1.0033 -1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5885 1.6002 -0.0160 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