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
2.1869 -0.2845 -1.6725 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 -1.2617 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3320 -1.2135 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4233 -0.1769 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8073 -0.1641 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5479 0.8401 -0.7227 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3838 -1.1940 0.2675 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7051 -1.2466 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0239 -0.1082 1.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4707 -0.2670 2.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6583 -0.2104 0.6787 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1826 0.2792 1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9292 -0.8256 2.2867 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3823 -0.5078 4.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4661 -2.5763 1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7995 -0.6164 2.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7166 -1.7378 -0.0973 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2916 -1.6420 -1.7011 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.2758 -0.4602 -2.7043 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1714 -3.3623 -2.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0962 -1.1830 -1.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1615 0.9296 -0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8017 2.4850 -0.1832 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.7216 2.8761 1.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8518 3.7474 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5836 2.5363 -0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5643 -2.3242 -0.7631 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9113 -2.4166 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7421 -1.3316 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1940 -1.4180 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1281 -0.0272 -0.1636 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9990 1.0581 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0474 1.1355 2.1956 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2335 2.4836 2.7079 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3338 1.6868 2.7648 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4230 -0.4715 3.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0998 -0.7517 1.0586 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7320 -0.8888 0.5719 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.7713 -1.8360 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6404 -1.8536 1.8873 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5625 0.7594 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0670 0.7754 -1.3151 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2644 1.4342 -2.6295 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5622 0.3870 -4.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4559 1.7629 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0596 3.1208 -2.9655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 -2.0507 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0386 0.6629 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8462 -2.2336 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4363 -1.2339 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4160 -0.2410 2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7916 0.8655 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7269 0.4576 2.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5200 -1.2854 2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5756 0.5354 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3308 -0.7375 4.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0428 -1.1182 4.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3748 -2.6768 1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8723 -2.9170 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8883 -3.2126 2.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1900 -1.0868 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9874 0.4835 2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1847 -1.1042 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1456 -0.8674 -3.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2732 -0.2820 -2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8012 0.5078 -2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6176 -3.3717 -3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1097 -3.7079 -2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7728 -4.0367 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4625 -0.9910 -2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6455 -2.0590 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2554 -0.2683 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2848 2.1720 2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6753 2.8955 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1096 3.9312 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3558 4.7523 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8219 3.8934 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8606 3.4595 -2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9501 3.5932 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2401 2.0162 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7001 2.1139 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2484 -3.4353 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 -2.4574 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6787 -1.4724 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2980 -0.3564 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1842 -1.3234 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5419 -2.4187 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2648 2.0875 2.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 2.9651 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2485 3.3016 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2130 1.3089 3.8023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2722 2.7786 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5449 1.2194 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7474 -0.6617 3.9023 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4515 -0.4927 3.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2644 -1.3669 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1735 -2.7589 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2773 -1.2328 -1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8238 -2.0944 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9389 -2.4736 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4329 -2.5016 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1179 -1.1550 2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4260 1.1466 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6727 0.5837 0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2952 1.4814 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4776 0.7632 -4.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6232 -0.6750 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7131 0.5728 -4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1204 2.5613 -3.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8884 0.8643 -2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2198 2.1387 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1483 3.0529 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5807 3.8935 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0080 3.3588 -4.0530 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