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
-2.4064 1.4488 -2.6265 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9623 0.2813 -2.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6183 0.0295 -2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1626 0.9997 -1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4917 0.7125 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2558 1.6317 -0.7268 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9198 -0.5997 -1.0938 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1743 -1.0083 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4085 -0.6481 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7312 -1.0788 1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1961 -0.3396 0.4664 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.1050 0.5052 1.6326 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3626 -0.3697 2.3220 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.4433 0.8263 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6978 -1.6166 3.5383 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4476 -1.2468 1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0514 -1.5914 -0.2633 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0956 -1.5674 -1.9380 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6900 -2.5104 -2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6990 -2.4261 -2.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1383 0.1231 -2.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6364 0.8392 -0.6484 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8867 2.4409 -0.0815 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6787 2.9743 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8278 3.5725 -1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4046 2.6663 1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7353 -0.7657 -3.0024 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0300 -0.6283 -3.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9760 -0.0080 -2.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0106 -0.9307 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1270 -0.2546 0.0317 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.2368 -0.0067 1.5012 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2522 1.6098 2.0038 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.0625 2.8322 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8245 1.8714 3.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8439 1.9069 2.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4382 -1.2556 0.4235 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0334 -2.8896 0.6274 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.0877 -3.8650 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2670 -3.6434 1.8148 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3513 -2.9894 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7442 1.2801 -0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4432 1.2342 -0.6560 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.3390 0.3202 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7783 0.4561 -2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1299 2.9918 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2467 -1.0057 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1899 2.0166 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0056 -0.6666 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2011 -2.1281 -0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5710 -1.0521 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3445 0.4541 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7639 -2.1901 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7220 -0.8220 2.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8382 1.3989 4.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2825 0.2938 3.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8485 1.5570 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2180 -1.0781 4.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5150 -2.2264 3.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9575 -2.2979 3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7021 -0.6326 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4119 -1.4668 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0401 -2.2558 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0829 -3.1243 -3.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9423 -1.7860 -3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2031 -3.1687 -1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5439 -1.7102 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6084 -2.8422 -3.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9567 -3.2311 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1516 0.5631 -2.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8604 0.7707 -2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5873 -0.0144 -3.7333 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8180 3.3353 -1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8846 3.8168 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3578 2.1046 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3432 3.0241 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 4.0173 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4277 4.3750 -1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8889 1.8222 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3260 2.8950 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7496 3.5687 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0322 0.0824 -4.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4148 -1.6081 -3.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9803 0.0050 -2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6565 0.9966 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2320 -1.9694 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9669 -0.9330 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0424 3.3447 0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5966 2.4318 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3967 3.6853 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6079 2.9585 3.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9185 1.3546 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1376 1.4782 4.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6428 2.5513 3.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2538 0.9473 3.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5905 2.4208 2.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6988 -4.7822 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4282 -3.2151 -1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0360 -4.2208 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2934 -3.5006 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1220 -4.7538 1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1926 -3.2017 2.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0308 -4.0359 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6053 -2.3583 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4975 -2.5856 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6983 -0.6794 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7846 0.2289 1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3013 0.8429 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8610 0.5117 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1882 1.0347 -3.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4366 -0.5797 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3578 3.7011 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4871 3.2478 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0310 2.9720 -1.3272 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