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
-0.5880 0.2089 -1.0885 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1754 -0.1355 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6320 -0.3141 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5967 -0.1571 1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 0.2339 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 0.4767 -0.3528 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9640 0.3463 1.4995 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1004 0.7105 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4479 -0.3285 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6712 -0.0106 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2372 0.1520 -0.0910 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.0365 1.5799 -0.5993 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2477 2.7429 0.5938 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.8173 4.3251 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6415 2.2318 1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7440 3.1643 1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0749 0.0929 1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1371 -1.4520 2.2527 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.1960 -2.8174 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5923 -1.5444 3.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5799 -1.6911 3.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2688 -1.1548 -0.6068 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2486 -0.7123 -1.9168 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.3221 -0.0531 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1426 -2.2740 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5882 0.4908 -1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5731 -0.3668 -0.2596 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1146 -0.1927 -1.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5939 -0.5069 -1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3216 0.3973 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1449 -0.0033 -0.4622 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.8525 0.5898 -1.9032 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7983 -0.5876 -2.7047 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.4368 -0.8742 -1.8781 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1472 0.0458 -4.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8525 -2.1994 -2.8943 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7810 0.6876 0.9408 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0767 2.3428 0.8742 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.2149 3.2543 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9440 2.5955 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5270 3.0886 2.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2934 -1.7012 -0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0141 -2.3000 0.9916 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.8308 -2.2487 2.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3769 -4.1262 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5828 -1.4678 1.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3905 -0.6302 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8189 -0.3513 2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8403 1.6546 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 0.9065 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5986 -0.4359 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5271 -1.3209 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7505 -0.7509 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4297 0.9593 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1131 5.0394 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9545 4.8034 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6744 4.1420 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4999 1.2434 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6216 2.2644 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7165 3.0513 2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8052 3.1030 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 4.2257 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6917 2.5744 2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7392 -3.7332 1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2374 -3.0927 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5809 -2.6047 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4327 -1.9949 2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8070 -0.5289 3.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3462 -2.1760 4.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5936 -0.8527 4.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6780 -1.5472 2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6024 -2.6276 3.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0441 0.5397 -4.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9792 -0.8779 -4.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4199 0.5140 -3.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9135 -2.5662 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4414 -3.1254 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6450 -2.1416 -3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5692 0.2417 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7869 0.3868 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3469 1.5099 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0006 0.8344 -1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6456 -0.8736 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6899 -1.5424 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0088 -0.3828 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1425 1.4454 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8897 0.3104 0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4417 -1.8268 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2615 -1.0096 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7516 -0.0553 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1865 0.1434 -4.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5816 1.0677 -4.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8096 -0.6323 -4.9896 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7633 -2.0483 -2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2735 -2.9907 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9139 -2.5814 -3.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7704 4.2218 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1830 3.5769 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0905 2.7328 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2899 2.3572 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2081 3.6355 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4443 1.8616 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4209 2.9565 2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7498 4.1681 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0056 2.5628 3.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4570 -2.3741 3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1759 -3.1643 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2365 -1.3341 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4644 -4.7179 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9311 -4.2130 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0985 -4.5114 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6304 -1.3077 2.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4422 -2.1279 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7741 -0.5204 0.9215 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