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
1.8656 -0.9457 -2.6601 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0829 -1.0639 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9458 -0.8024 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2099 -0.4651 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3501 -0.2018 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2321 -0.2997 1.0956 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5604 0.1550 -0.7101 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7424 0.4317 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1440 -0.8064 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3745 -0.6401 1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8815 -0.2990 0.5725 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.8055 1.0154 1.1445 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1133 2.5359 1.0016 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.5194 3.7828 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8601 2.9042 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4523 2.9146 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9207 -1.6840 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4644 -1.2494 1.3459 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.4547 -0.3387 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3797 -2.8270 1.7463 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3322 -0.2503 2.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4925 -0.0479 -1.0401 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5831 -1.3683 -2.0589 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9718 -2.9723 -1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9852 -1.6200 -3.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9270 -1.0634 -3.3395 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3041 -1.4156 -0.9053 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3895 -1.6627 -1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8102 -0.4986 -2.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2095 0.6521 -1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6431 0.0838 -0.6184 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9612 -0.6761 0.7664 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7182 0.4863 2.0008 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.9679 2.0537 1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5209 -0.2214 3.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 0.8863 2.8999 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5924 -1.0750 -1.4433 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4570 -2.1021 -0.3974 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.7419 -3.0913 -1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3129 -3.3836 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3563 -1.2037 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5687 1.3982 -0.0629 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3596 2.2663 -1.2824 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.8878 1.7838 -2.9993 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0867 4.1053 -1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2092 1.9625 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.8833 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.3647 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5307 0.7665 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4741 1.2640 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2931 -1.2092 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2652 -1.6109 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2127 0.2030 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4847 -1.6009 2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1145 3.4296 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1036 4.7908 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1483 3.7515 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8460 2.8194 1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0312 2.2691 3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9586 3.9560 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7959 2.2140 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3283 3.0159 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7791 3.9321 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7257 0.6812 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4085 -0.8653 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8623 -0.3406 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8959 -3.3386 2.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4330 -2.5652 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3133 -3.5239 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8500 0.7217 2.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2749 -0.0837 3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8254 -0.7539 3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4004 -3.1228 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0622 -3.1401 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6294 -3.7932 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2193 -2.0425 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6061 -0.6784 -3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1525 -2.3945 -3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6323 -0.3098 -2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4667 -0.5963 -4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4689 -2.0021 -3.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1661 -2.5188 -2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2377 -1.9840 -1.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9506 -0.1388 -3.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6778 -0.7601 -3.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4160 1.5841 -2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2913 0.8331 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9782 2.8569 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4561 2.3750 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9094 1.8453 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7360 0.2910 4.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4783 -0.0230 3.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 -1.3016 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7251 -0.0238 3.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0735 1.3281 2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0432 1.5942 3.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2407 -3.8353 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3733 -3.6594 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3561 -2.3602 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0045 -4.1846 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6208 -3.8067 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7687 -2.9158 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9493 -1.5046 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3053 -0.1222 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4387 -1.4785 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8104 1.8016 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2126 2.5279 -3.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5173 0.7593 -3.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0096 4.3657 -1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6826 4.6708 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4747 4.3545 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7712 2.6610 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5152 2.1161 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4557 0.9158 -1.3351 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