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
-1.8305 -1.4653 -1.5599 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3665 -0.4084 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2778 -0.4848 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2306 0.6301 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3161 0.5176 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7772 1.5753 1.8891 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -0.7124 1.7643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8820 -0.8648 2.6982 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0871 -0.1484 2.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5262 -0.7154 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0231 0.2769 0.2965 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.0836 -0.5561 -0.7084 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5013 -1.9869 -1.3893 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.7732 -1.8345 -2.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6282 -3.4408 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6371 -2.3834 -2.8466 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8173 0.9127 1.6879 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2108 0.0542 2.1180 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.1964 1.1533 3.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8361 -1.5162 3.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3276 -0.3399 0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4166 1.6395 -0.5743 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6360 2.6701 -1.1354 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5400 1.8240 -2.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8262 3.1970 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7832 4.2160 -1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 0.7965 -1.4782 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9428 0.8510 -2.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1922 0.1550 -1.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6435 0.8211 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1781 0.0206 0.0493 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9517 1.2083 1.0716 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8798 2.7722 0.4394 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.0038 2.8801 -1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2553 3.5489 0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2421 3.8062 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8934 -1.3161 1.0298 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7326 -2.8147 0.3077 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.2285 -2.9360 -1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8743 -4.0001 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0131 -3.5310 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2778 -0.2521 -1.2286 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8922 -0.3776 -0.6664 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.6904 -1.9235 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8602 1.0710 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9810 -0.3423 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1027 -1.4560 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1735 1.5710 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5405 -0.3155 3.6182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0673 -1.9052 2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9987 0.9326 2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9714 -0.3409 2.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7378 -1.7702 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7140 -0.5511 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0310 -2.3654 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7658 -2.2142 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5494 -0.7384 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6927 -3.1490 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7138 -4.0551 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4971 -4.0924 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6761 -2.0775 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3755 -1.7822 -3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6671 -3.4687 -3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0558 2.2031 2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2538 0.8682 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7919 0.9833 4.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0135 -1.4215 4.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -2.3294 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8110 -1.8765 2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1893 0.3013 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4100 -0.2418 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2356 -1.3965 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5419 1.4826 -2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6458 2.5627 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9461 0.9377 -2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1048 4.2760 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3454 3.1303 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7914 2.6416 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4842 4.8590 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4617 4.7300 -2.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8172 3.9454 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6960 0.2912 -3.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1709 1.8784 -2.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0513 -0.9181 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9932 0.3457 -2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8280 0.8523 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8449 1.8804 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9752 3.3549 -1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2160 3.5735 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9451 1.9410 -1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7982 4.0695 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5695 2.7773 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4181 4.3525 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7748 3.1969 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8994 4.1671 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8325 4.6770 1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2415 -3.4060 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5465 -3.6942 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1096 -2.0308 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8923 -3.6097 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7748 -5.0112 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4713 -4.0529 2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 -3.0105 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1041 -4.6141 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4896 -3.3291 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6379 -2.7726 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2274 -2.1880 -2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7760 -1.7813 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8930 1.8768 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8867 0.7485 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3599 1.4135 -2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1930 0.6788 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1081 -0.8053 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8663 -0.9758 1.4825 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