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
2.4201 4.2990 -1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3614 3.7576 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7968 4.4630 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2304 4.1591 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1096 3.0281 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1105 2.8991 1.5899 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0364 2.0174 -0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9190 0.9333 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 0.0444 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 -1.1042 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6852 -0.4847 0.4790 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.8755 -1.4889 1.0415 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6750 -2.3822 2.4018 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.5868 -1.4724 3.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0350 -4.0995 2.2119 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3689 -2.5428 3.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7698 0.9450 1.4877 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1025 1.9142 1.1112 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.6202 3.0182 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4949 2.9581 2.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6193 0.9864 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8923 0.1183 -1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3241 -0.9395 -2.2770 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.1697 -1.2198 -2.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9546 -0.1163 -3.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4080 -2.5554 -2.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 2.5915 -1.4466 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4811 1.8961 -2.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 1.4593 -2.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 0.5801 -0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4146 -0.0643 -0.3495 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6191 -0.1031 -1.5243 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4660 1.3258 -1.7913 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.0183 1.9243 -3.5264 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3277 0.9845 -1.8046 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1456 2.6816 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8872 0.8944 1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8243 0.0072 2.1213 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6009 1.2629 3.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2316 -0.8982 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8154 -1.1616 3.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1354 -1.6589 0.2443 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4383 -2.8655 -0.8987 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9628 -3.8170 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0328 -4.1021 -1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7312 -2.2103 -2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3291 5.3997 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 4.8473 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9535 1.3471 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6056 0.3501 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1382 0.5967 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9586 -0.4293 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8719 -1.7410 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6257 -1.6914 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0950 -1.3153 4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 -2.0925 3.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2097 -0.5108 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5905 -4.4531 3.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2564 -4.2170 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8380 -4.8346 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1629 -2.7213 2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5627 -1.5136 3.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3284 -3.2314 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2178 3.9522 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9254 2.4998 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5385 3.2071 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5823 3.4934 2.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2986 3.6539 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7955 2.2392 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6905 -0.0307 1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7937 1.0094 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5082 1.5310 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6463 -0.3229 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5696 -1.2655 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4649 -2.0861 -2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9341 -0.4393 -4.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7355 -0.3197 -4.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8645 0.9982 -3.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6733 -3.1889 -3.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3279 -2.4467 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7721 -3.1309 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4648 2.5399 -3.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8308 0.9866 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4718 2.3609 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3458 0.9111 -3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2543 1.1675 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0951 -0.2645 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6910 1.0508 -4.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9361 2.3312 -4.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2638 2.7353 -3.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4737 -0.0381 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6814 1.0454 -0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8053 1.7542 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8088 2.5757 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4337 3.6538 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0971 2.8016 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8899 2.1638 2.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4627 0.8327 3.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8256 1.5554 4.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0259 -1.1908 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4026 -1.8312 1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1842 -0.3132 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5404 -1.8995 3.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3870 -0.6215 4.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0797 -1.7321 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8536 -4.9066 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0847 -3.7063 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8675 -3.4573 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0945 -3.5855 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2948 -4.8101 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9591 -4.6967 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1051 -1.3556 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4591 -3.0257 -3.3442 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8283 -2.0366 -2.8176 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