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
-2.1636 1.4575 3.0836 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6891 1.1909 1.9569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 1.0079 1.8236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2635 0.7219 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 0.5368 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1712 0.2624 -0.5971 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 0.6591 1.5729 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9750 0.5102 1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5732 1.5157 0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0757 1.4802 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7026 -0.1684 -0.0579 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.3140 -0.2263 -0.4252 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3735 0.8962 0.1637 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.4540 2.3583 -1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1069 0.1433 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0738 1.5527 1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3706 -1.3886 1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6273 -2.4754 1.3762 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8345 -4.0988 1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7771 -1.9601 2.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4988 -2.8486 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7703 -0.6115 -1.4152 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2024 0.1095 -2.8631 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.9845 -0.5393 -4.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8876 -0.4275 -3.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1004 1.9721 -2.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4915 1.0681 0.8411 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8791 1.2212 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4966 0.1844 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0037 0.2972 1.8014 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8231 0.1168 0.1449 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.5642 1.6016 -0.7149 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6074 1.7836 -2.0359 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.6667 2.7300 -3.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1379 2.7806 -1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1703 0.1931 -2.7894 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4921 -0.1209 0.2832 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1865 0.6631 1.6161 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.5390 2.3750 1.8997 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0406 0.7749 1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9523 -0.3867 3.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0348 -1.1108 -0.7155 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6017 -2.6775 -0.4017 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.6654 -3.8360 -1.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2866 -3.2630 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4190 -2.8798 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4227 1.1006 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3783 0.6219 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3456 0.6764 2.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2244 -0.5358 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 1.4710 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3231 2.5391 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3699 2.2360 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4434 1.7359 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6501 3.0739 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3263 1.9113 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4770 2.8075 -1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1429 -0.6302 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8396 0.9481 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3310 -0.2795 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4786 0.9217 2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0607 1.7036 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6577 2.6028 1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0169 -3.9018 2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4107 -4.6354 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6438 -4.7185 2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7058 -1.5902 2.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2998 -1.2608 3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0748 -2.8520 3.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4992 -2.3749 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7094 -3.9551 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8880 -2.5936 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3460 -0.2737 -5.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9776 -1.6334 -4.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0072 -0.0870 -3.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4684 0.4411 -3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8591 -1.1581 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5034 -0.8867 -2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2034 2.3086 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9957 2.4770 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8936 2.3051 -3.9394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2337 1.1125 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1705 2.2389 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1379 0.3209 2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1460 -0.8209 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3514 -0.5627 2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2300 1.2439 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3091 3.6958 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3284 2.8571 -4.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8207 2.0633 -3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4210 3.3473 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9701 3.4749 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9798 2.0811 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4677 0.4044 -3.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3467 -0.5209 -2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0908 -0.2088 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3642 3.1050 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1559 2.5197 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7856 2.6394 1.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3548 -0.0610 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2756 1.7433 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5747 0.6885 2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9134 -0.4875 3.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6049 -1.3797 2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1912 0.0617 3.8238 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6068 -3.7895 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1122 -4.8339 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 -3.4093 -2.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1834 -4.3833 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3203 -2.8875 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1306 -3.0730 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6456 -3.9797 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0596 -2.3425 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5671 -2.5177 -1.8651 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