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
2.6448 0.0326 -3.7111 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7125 0.5534 -2.9442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 1.0762 -3.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5508 1.5847 -3.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8589 1.8020 -1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0650 1.5153 -0.7824 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0550 2.3368 -1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4829 2.5877 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 1.3293 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3055 0.2480 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1084 0.5167 -0.1033 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.2910 2.1996 -0.4993 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5743 2.9762 0.2447 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1117 3.0410 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9791 2.3594 1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0337 4.7850 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4831 -0.3025 -1.5630 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8825 -1.1881 -1.6531 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3496 -0.5564 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3871 -1.1770 -3.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6376 -3.0119 -1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1363 0.0783 1.0842 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8474 -1.0745 2.2171 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.9612 -0.2880 3.6948 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5466 -1.5811 2.9301 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0165 -2.6293 1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9553 0.5497 -1.7035 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8352 0.1913 -0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1782 -1.2857 -0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1770 -1.7171 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8303 -0.9114 0.1367 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.0545 -2.0449 -0.2033 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0926 -2.7341 -1.7199 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.8464 -2.8986 -2.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0549 -1.9842 -3.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4953 -4.5305 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3350 -0.0936 1.5571 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4372 -0.3618 2.9423 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.5257 0.1921 4.3983 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0416 -2.1522 3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9003 0.6968 3.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7427 0.3055 -1.0788 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8383 1.5739 -0.8490 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.3108 2.7265 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8503 2.5958 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5664 1.0071 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 0.9947 -4.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3540 1.9133 -3.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 3.2284 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3580 3.2265 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4594 0.9468 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7825 1.5380 1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0840 -0.7632 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8427 0.0992 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1174 2.1978 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0512 3.9629 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0335 3.1555 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4731 3.2133 2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7143 1.5649 1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0469 2.1847 2.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0201 4.8181 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0645 5.3415 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7724 5.2778 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8541 -1.4364 -0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1131 -0.1866 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1568 0.1499 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0931 -0.2243 -3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8614 -1.9948 -4.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4632 -1.3314 -3.6108 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0927 -3.2028 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2462 -3.6624 -1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5970 -3.3417 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7265 0.3663 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0960 0.2943 3.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7501 -1.0976 4.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4357 -1.9143 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9313 -2.3453 2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2412 -0.7234 2.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2485 -2.8885 2.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7260 -3.5154 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6142 -2.5492 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6690 0.8674 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 0.3057 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4834 -1.5856 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2445 -1.8462 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2371 -2.8315 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7141 -1.3920 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8302 -2.9252 -3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3291 -3.8444 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4779 -2.0669 -2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6294 -2.0332 -4.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8127 -0.9209 -2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1373 -2.5765 -3.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6188 -4.5921 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3378 -5.0581 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3887 -4.9865 -2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9846 1.1666 4.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2699 -0.6230 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8565 0.2421 5.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4935 -2.5074 4.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2627 -2.8234 2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9313 -2.2064 3.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0300 1.5446 3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0776 0.0370 3.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6050 1.0402 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7346 2.3644 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 2.8700 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7666 3.7126 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5929 3.6519 -2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8587 2.4746 -2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1424 2.1850 -3.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1184 0.9385 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6074 0.0122 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1187 1.7725 0.1310 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