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
-3.5834 0.7669 -1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5843 0.2824 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2215 0.8722 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1876 0.4121 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 -0.1419 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 -1.1084 1.1394 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 0.2076 0.2141 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2732 -0.4614 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5991 0.0695 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7550 -0.5563 1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4217 -0.0214 0.5493 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.2302 0.7982 1.8026 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9536 2.2530 1.3705 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.7103 3.5840 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1429 2.1388 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9187 2.8911 2.8691 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2679 1.0670 -0.7698 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6061 0.3686 -2.2609 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.3276 1.6929 -3.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3497 -0.2229 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4151 -1.0202 -2.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3616 -1.3836 0.1116 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1754 -2.7374 1.0965 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.9023 -3.5142 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6181 -2.3499 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1366 -4.0641 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7023 -0.7561 0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8080 -1.4393 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7636 -0.8670 1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5930 0.3017 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8770 0.0942 -0.0205 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.5955 1.3671 -1.1504 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5787 2.9222 -0.5460 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4743 4.0512 -1.7934 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8307 3.6232 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3979 3.1604 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6084 -1.3715 -0.8131 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3249 -2.7682 -0.2501 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.2002 -3.5860 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4739 -2.6217 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9614 -4.0179 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3790 0.2573 0.6673 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7842 0.4011 -0.1644 Si 0 0 0 0 0 4 0 0 0 0 0 0
-11.1976 0.3094 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1957 -0.9115 -1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0791 2.0432 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2799 1.7169 -1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 1.3448 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2147 -1.5269 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1641 -0.1827 2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6034 -0.1246 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6022 1.1758 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5908 -1.6348 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6323 -0.2638 2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1221 3.8854 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2956 4.5062 0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0461 3.3174 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5436 1.1396 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6781 2.5800 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0183 2.8101 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3040 3.6057 3.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2069 2.0648 3.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8031 3.4356 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2134 2.3794 -3.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4214 2.2660 -3.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3294 1.1620 -4.5778 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7538 -0.7771 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0804 0.5886 -2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3993 -0.8515 -3.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7689 -1.5730 -3.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4515 -0.5651 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2313 -1.6751 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3836 -3.4291 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4971 -2.9221 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7915 -4.5847 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6717 -1.2403 3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6155 -2.7477 3.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3024 -2.7760 3.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4476 -4.0557 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0869 -3.7285 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2911 -5.0268 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3305 -1.7498 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5102 -2.4676 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4030 -1.6947 2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1294 -0.5656 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1271 0.5903 2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9571 1.1769 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4400 4.3149 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6579 3.4785 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9004 4.9790 -1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9109 4.6811 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4804 3.6406 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1927 3.0122 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7513 3.8630 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3683 3.7170 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6566 2.2624 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6989 -4.5417 -1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2577 -3.7348 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1292 -2.9195 -2.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3235 -1.7330 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3682 -3.5660 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5170 -2.6573 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1372 -3.9921 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7408 -3.8406 1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4115 -5.0528 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1503 1.2342 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1117 0.2170 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0108 -0.6170 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5966 -1.8263 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0826 -0.4800 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3984 -1.0063 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1479 1.9484 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4744 2.1396 -1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1238 2.8827 -0.3378 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