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
-1.6106 -1.6400 1.2004 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9350 -1.6240 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0431 -1.3121 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 -1.0065 -0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -0.8799 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7267 -1.0647 1.3358 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.5230 0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2378 -0.4152 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6448 -0.0263 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3448 -1.0090 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0974 -0.4964 -0.4290 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1446 -1.5617 0.3795 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0465 -1.5597 2.0606 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.0859 0.1101 2.8468 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5873 -2.4763 2.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5828 -2.5712 2.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3350 1.1300 0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7883 1.8032 -0.5015 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.3007 1.0693 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7520 3.6290 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9867 1.7650 -2.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3648 -0.7246 -2.1043 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0911 -0.2535 -3.1033 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.1671 1.2494 -2.4983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9482 -1.6732 -3.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8681 0.2575 -4.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2831 -1.9413 -0.2429 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2050 -2.2527 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4216 -1.1620 1.7723 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9282 0.1370 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5568 0.0863 0.4162 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.6608 1.5439 -0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1171 2.3856 -0.2349 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1029 3.2140 1.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5205 1.1610 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4654 3.6338 -1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9264 0.0255 1.3153 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0023 -0.3721 2.9021 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.7455 0.1188 3.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9178 -2.2445 3.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8217 0.3967 4.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5721 -1.1901 -0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1840 -0.7168 -2.3116 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6046 0.0600 -3.2416 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7475 -2.3054 -3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6954 0.3713 -2.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4895 -1.3400 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7324 -0.7957 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7994 0.3979 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1711 -1.3696 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2431 0.1466 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5822 0.9786 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2983 -2.0186 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7616 -1.0789 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4469 0.8288 2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1484 0.4314 2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7561 -0.0319 3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8911 -3.2645 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4192 -2.8928 3.6838 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4100 -1.7350 2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8865 -3.0384 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4706 -3.4159 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6640 -1.9773 2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1783 1.4116 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3384 -0.0193 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4885 1.5252 1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7634 3.6392 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6382 4.1549 -0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7995 4.1011 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2033 0.7730 -2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1638 2.3034 -2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9050 2.3868 -2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7096 1.6864 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9823 1.9899 -3.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1740 0.9215 -2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2703 -2.5477 -2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9099 -1.3438 -3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0633 -2.0048 -4.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9603 1.3557 -4.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8817 -0.1605 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2612 -0.1210 -5.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8578 -3.1520 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1438 -2.5788 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2302 -1.5472 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4914 -1.0242 2.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1771 0.4214 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8006 0.9781 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2774 2.8626 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0522 3.0774 1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0100 4.3259 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3465 1.4684 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2166 0.1577 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0168 1.0504 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2310 4.3400 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8665 3.0468 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5363 4.1124 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8012 0.0312 4.5945 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9020 1.1552 3.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4630 -0.5246 2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8495 -2.7362 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8312 -2.6159 3.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0618 -2.5241 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3886 1.3363 3.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9990 -0.3259 4.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3388 0.6280 5.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5509 -0.3958 -2.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4554 -0.2007 -4.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5814 1.1647 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9505 -2.1352 -4.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6779 -2.5193 -3.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4060 -3.1153 -2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7532 -0.2280 -2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6603 0.7901 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7101 1.2328 -1.7636 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