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
3.3147 -2.6032 -0.0902 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0873 -2.2507 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1325 -3.3173 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1390 -3.2316 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9536 -2.0455 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5427 -0.8952 0.4661 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3425 -2.1716 0.7967 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 -1.1226 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2903 -0.3219 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2869 0.8384 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9588 0.1424 0.1250 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.2147 -1.2685 -0.8141 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7570 -0.9325 -2.3837 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.5789 -0.5156 -2.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7722 0.4368 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5180 -2.4709 -3.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2192 1.2402 -0.2281 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0342 2.7338 0.5760 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.6430 2.5007 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7362 3.8042 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6722 3.6316 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0444 -0.2408 1.7792 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3478 -1.2255 2.1982 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.0771 -3.0107 1.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9718 -0.6829 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4985 -1.2159 4.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8342 -0.9678 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4468 0.2108 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1123 0.5892 -1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3117 -0.1296 -1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8055 0.0639 -0.6736 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.1739 -0.2970 -1.6961 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9594 1.1502 -2.1461 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8284 2.6036 -2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4129 1.5024 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7073 0.8617 -3.8561 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0008 1.6582 -0.1596 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0100 1.9450 1.4895 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6843 2.7105 1.9244 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8049 0.4698 2.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7303 3.2131 2.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7972 -1.0954 0.5416 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9144 -2.3582 0.2272 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6861 -3.1079 -1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6397 -3.7130 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6507 -1.7325 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6066 -4.3401 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6717 -4.2327 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2474 -1.5732 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0019 -0.4509 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2993 0.0416 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6604 -1.0174 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2188 1.4166 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9551 1.4074 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2149 -1.4237 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8315 0.0723 -3.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8874 0.0820 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7143 0.1621 -3.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0528 0.4665 -4.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0082 1.4192 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9748 -2.3212 -4.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4630 -2.7769 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0752 -3.3099 -2.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5551 3.5319 2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5175 2.0191 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7161 1.9394 2.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4273 3.5051 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8076 3.7900 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0718 4.8819 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5397 4.7017 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4353 3.1515 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0338 3.5177 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0808 -3.1114 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8900 -3.6064 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1245 -3.3853 2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1198 -1.1391 0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7756 -1.1474 2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1409 0.3916 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8549 -2.1970 4.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4909 -1.0166 4.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2059 -0.4267 4.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2078 0.4186 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6706 1.0433 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2980 0.5952 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4143 1.6926 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5708 0.3439 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1144 -1.1686 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7685 2.3580 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0675 3.2924 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0755 3.2158 -3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6205 2.5704 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1409 1.1131 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3070 0.8950 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9836 -0.2076 -3.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5850 1.5280 -3.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9451 1.1832 -4.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3631 1.8767 2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0723 3.2611 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5676 3.4178 2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7225 -0.1493 2.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6924 0.8739 3.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8731 -0.1033 2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8190 2.6912 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4843 3.8702 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1211 3.8498 2.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3466 -2.4130 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9724 -3.9648 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6638 -3.5808 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1068 -4.6299 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5578 -3.9215 1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1007 -3.4450 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6001 -0.8939 1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2731 -2.5741 0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1386 -1.4420 -0.4893 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