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
1.3128 -2.0493 -0.7134 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 -1.0025 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7755 0.0728 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4897 0.1675 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3681 -0.7845 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0228 -1.8968 -1.0885 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 -0.4409 -0.7286 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5739 -1.4329 -1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0099 -0.9896 -1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5820 -0.7355 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3522 -0.1934 -0.1120 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1187 -0.7294 1.3253 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7597 -2.3063 1.1860 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.5710 -3.4564 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0724 -3.0462 2.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3758 -2.2029 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0899 -0.9923 -1.4421 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8439 0.1460 -2.4753 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.0560 1.2213 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5066 1.1971 -3.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7461 -0.7283 -3.8344 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5649 1.4628 -0.2959 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4991 2.4049 1.0841 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.0210 1.4934 2.6394 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7559 3.8044 0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8540 3.2380 1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0291 -0.9175 0.1526 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9073 -1.9709 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3172 -1.6157 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7532 -0.3498 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4838 0.1166 0.0665 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.4924 0.4296 -1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -0.9347 -2.2521 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.0396 -2.4905 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3746 -1.1575 -3.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3243 -0.6125 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1225 -1.1289 1.0215 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8538 -0.5967 2.4643 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.8623 -2.0677 3.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6440 -0.1574 2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9452 0.7787 3.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3807 1.5572 0.9763 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2926 2.9563 -0.0085 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.7930 3.9584 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8548 3.9705 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2514 2.5606 -1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2362 0.9808 0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0139 1.1073 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4822 -2.3924 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1615 -1.5785 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5865 -1.7778 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1238 -0.0635 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9414 -0.0405 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5479 -1.7042 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2142 -2.9978 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7339 -3.7470 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0847 -4.3992 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2842 -2.7501 3.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0866 -2.7540 3.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0635 -4.1458 2.7495 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1147 -2.9371 0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8168 -1.1928 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1746 -2.3775 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7802 2.3061 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1322 0.9528 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0900 1.1435 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0290 1.8765 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7375 0.5529 -3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9139 1.8345 -4.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3478 0.0123 -4.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4548 -1.4470 -3.3792 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9969 -1.2224 -4.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0430 1.0991 2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2980 0.7343 2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1749 2.2689 3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7546 3.3144 0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6801 4.5424 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5628 4.2077 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0331 4.1281 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1325 2.6050 1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4955 3.6309 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 -2.8978 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8851 -2.1557 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3913 -1.4578 1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0125 -2.4323 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6992 -0.4757 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0121 0.4316 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1184 -3.0279 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6717 -3.2046 -1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5994 -2.2874 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8445 -0.2166 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7918 -1.4676 -4.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6839 -1.9553 -3.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3143 0.4806 -3.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2251 -0.8918 -2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2590 -1.1796 -4.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2023 -2.9526 3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5408 -1.8200 4.4821 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8193 -2.1570 4.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0361 -0.8920 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2456 -0.3148 3.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7753 0.8508 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8638 0.6994 3.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3665 1.7824 3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0570 0.6605 4.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1145 4.9969 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 4.0172 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2539 3.5435 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8264 4.8701 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7001 3.3115 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9620 4.2116 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2699 2.5372 -2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6670 1.6617 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7112 3.4128 -2.3204 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