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
0.5849 -0.5108 -2.4039 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 0.4292 -1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 1.4294 -1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 1.6057 -1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0653 0.8136 -1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 -0.1821 -2.5539 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4376 1.1665 -1.8197 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3707 0.4085 -2.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4828 -1.0249 -2.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8975 -1.0803 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5686 -0.2306 -0.4146 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.3536 -0.3683 -1.9247 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6861 0.6509 -2.1117 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.2903 2.4511 -1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3244 0.4008 -3.8727 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0754 0.1222 -0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2489 1.3978 -0.0085 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7964 1.8461 1.5234 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4874 3.7021 1.7002 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6052 1.5736 1.7908 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8066 1.0276 2.8998 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4936 -1.0326 0.7507 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9384 -2.5610 1.2012 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9099 -3.7231 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1829 -3.2568 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2958 -2.5090 2.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3590 0.4514 -1.4084 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1916 -0.5388 -2.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6048 -0.2833 -1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 -0.3456 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5510 -0.0201 0.3633 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2918 -1.5345 0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9079 -2.2803 -0.7428 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6643 -3.4629 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4362 -3.2538 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4368 -1.0971 -2.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2712 0.8652 -0.8808 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6931 2.4524 -0.4840 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.7326 3.1603 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5298 2.5243 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3357 3.5350 -1.9886 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5389 0.8131 1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2986 -0.0885 3.1102 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.2519 -1.5535 3.6134 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5482 1.0464 4.5736 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9831 -0.6552 2.5281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6912 2.1658 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5975 2.4623 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0832 0.4698 -3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3641 0.9199 -2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5434 -1.5374 -2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3193 -1.4698 -2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1003 -0.4997 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9371 -2.1333 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5286 3.0472 -2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2480 2.6694 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0113 2.8698 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6475 -0.6433 -3.9647 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0907 1.1509 -4.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4528 0.5541 -4.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7006 -0.6684 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9059 -0.3665 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5029 0.9789 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4973 4.1714 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2818 4.1625 2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4925 3.8537 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9419 0.5478 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8162 1.8672 2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1936 2.2776 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8769 1.6472 3.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7399 0.9732 2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2633 0.0491 3.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9018 -3.1724 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9498 -4.3030 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7310 -4.4404 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0892 -3.6112 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4673 -2.4190 3.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6998 -4.0270 3.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3954 -2.6821 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7935 -1.5297 1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6761 -3.3593 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0789 -0.5662 -3.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8177 -1.5192 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3205 -0.9628 -2.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8729 0.7612 -1.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1614 0.4886 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3899 -1.2956 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6510 -3.1419 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9086 -4.4817 -1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7694 -3.4618 -2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1939 -2.5473 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1101 -3.8657 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8262 -3.8707 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6247 -0.6437 -2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0425 -1.6877 -2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1665 -0.3387 -1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3064 3.0202 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6978 2.8023 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6582 4.2815 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8791 3.5695 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0203 2.1032 -1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8513 1.8826 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3259 3.9894 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0525 4.3768 -2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3112 2.9446 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1914 -1.2923 3.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5583 -2.4409 3.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5267 -1.7858 4.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1844 0.4802 5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1529 1.8942 4.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5838 1.3313 5.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8030 -0.2559 3.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0733 -1.7636 2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2073 -0.2593 1.5183 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