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
1.2077 -3.5061 1.2686 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2947 -2.3054 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 -1.3921 1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9149 -1.8595 1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 -0.9281 2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0468 -1.3998 2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9077 0.3791 1.6874 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 1.3562 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0358 1.3727 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9281 0.1867 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4187 0.5070 -0.2234 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4237 2.1753 -0.4998 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2601 3.1245 0.5988 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.8401 3.7160 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5929 2.3592 2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2336 4.6840 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0733 -0.2786 -1.6858 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6646 -1.9010 -1.5526 Si 0 0 0 0 0 4 0 0 0 0 0 0
-3.8696 -2.1022 -2.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8937 -2.6654 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7008 -2.8609 -2.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7862 -0.0713 0.5655 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1326 -0.3623 -0.4022 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.6041 0.4689 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4863 -2.1982 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9979 0.3360 -2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5001 -1.8637 0.4299 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5781 -2.7682 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6984 -1.9364 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0871 -0.8629 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4586 0.2158 -0.0299 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.8514 1.8426 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8358 2.4918 -1.6420 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5286 3.1863 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2479 1.3276 -2.9528 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6487 3.9605 -1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8481 -0.2298 -1.6419 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4961 -0.6169 -1.8354 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.6316 0.4709 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7787 -2.4249 -1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8969 -0.3904 -3.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8210 0.2409 0.9755 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7178 -0.7035 2.3700 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.3436 -0.4634 3.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3519 -0.1075 3.4946 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5577 -2.5218 2.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2488 -0.3366 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0024 -2.9219 2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2873 2.3521 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2161 1.4476 2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6268 2.2945 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6463 1.5521 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3927 -0.7166 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3254 -0.0225 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1203 3.0335 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6986 4.7161 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6547 3.8472 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1295 2.9292 3.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7019 2.4609 2.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2532 1.3263 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5845 4.5185 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6465 4.9196 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9449 5.4846 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7410 -3.2094 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6904 -1.6303 -3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1723 -1.8211 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9230 -3.0491 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3554 -2.0360 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5421 -3.5892 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6048 -2.3142 -3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1208 -3.0547 -3.7292 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9271 -3.8839 -2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6871 1.5247 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5525 -0.0146 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4980 0.3584 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5077 -2.4355 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7862 -2.7677 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4907 -2.6114 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0557 0.8439 -2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8165 1.0711 -2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1405 -0.4871 -2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2423 -3.5195 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8449 -3.2199 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5661 -2.5570 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3137 -1.4675 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1735 -0.2721 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3938 -1.3480 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4154 4.1532 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0910 2.5244 -2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0872 3.4557 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5690 0.5969 -2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 1.8891 -3.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0786 0.8745 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9377 4.6429 -2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7733 4.5432 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6051 3.6405 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0025 -0.1042 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1916 1.4019 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5378 0.7641 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1570 -2.5590 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8857 -3.0447 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5940 -2.8398 -2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2356 0.6551 -3.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7213 -1.0854 -3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9802 -0.5485 -4.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1686 -0.7667 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3822 -1.1239 4.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4281 0.6013 3.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6278 0.5600 2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7710 0.4842 4.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8035 -0.9982 3.8552 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7665 -2.9212 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2402 -2.7744 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4861 -3.0971 2.3337 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