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
2.1736 1.7550 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1771 1.0782 1.8407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 0.7335 2.7665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9631 0.0793 2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4430 -0.4967 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8418 -0.4289 0.3179 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6647 -1.1813 1.3912 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2145 -1.7735 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5186 -0.8216 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5097 0.2576 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1782 -0.4095 -0.0265 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.3789 0.3513 -0.9504 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9422 0.2531 -0.3126 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.1280 -0.9692 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1159 -0.2542 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4667 1.9840 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1773 -2.0849 -0.3165 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5950 -2.5433 -1.8847 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.7403 -1.1613 -3.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3017 -3.7689 -2.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2182 -3.4944 -1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4818 -0.1634 1.6450 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0922 1.3961 2.1873 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.3650 1.8525 3.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1638 2.6594 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4100 1.4147 3.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 0.8020 0.5137 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3095 1.1466 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.5269 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7519 0.8513 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2415 -0.0249 -0.1458 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.7173 0.5749 -0.6694 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7592 1.2417 -2.2165 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6584 0.4139 -3.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3804 3.0884 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5359 1.0956 -2.8406 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0649 -0.0011 1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6022 1.4159 2.2882 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9771 2.9687 1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9906 1.3953 4.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4679 1.5159 2.3756 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0963 -1.6770 -0.6247 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4547 -2.6137 -0.2664 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8323 -4.2483 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4878 -3.0153 -1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4969 -1.8315 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3273 1.1019 3.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6026 -0.0446 3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0604 -2.4118 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4591 -2.5067 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8577 -1.3622 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5851 -0.3169 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6401 0.8649 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1088 0.9632 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3212 -0.4201 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0387 -1.6234 0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2577 -1.6168 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8346 0.1802 -2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1535 0.0763 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1594 -1.3539 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5688 2.0314 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1955 2.1188 1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9771 2.6974 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8052 -0.9252 -3.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1860 -0.2560 -2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3378 -1.5133 -4.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8130 -4.5565 -3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5532 -3.2297 -3.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8520 -4.2548 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7978 -3.1531 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0043 -4.5597 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8567 -3.3141 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2903 1.2831 3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5685 2.9566 3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9635 1.5325 4.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0161 3.3327 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1693 2.2156 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2409 3.2868 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0971 0.3654 3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5009 1.9411 3.9957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7121 1.9737 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 2.2581 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 0.7607 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8503 0.8143 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4148 -0.5885 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4928 0.4860 -1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8740 1.9346 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2011 0.2007 -4.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2658 -0.5603 -3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8262 1.1136 -3.7516 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8783 3.5171 -3.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8940 3.5456 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3114 3.2832 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6422 0.1189 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2605 1.1783 -2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6643 1.8725 -3.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 2.9639 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 3.8028 2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5337 3.2853 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4494 0.5463 4.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1410 2.3673 4.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8815 1.2327 4.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8759 0.7193 3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9245 1.3435 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7725 2.4763 2.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6631 -4.9516 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9796 -4.5899 -0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4667 -4.0097 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3852 -2.3593 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8755 -4.0654 -1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8715 -2.9418 -2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0517 -0.9537 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8909 -1.6035 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2574 -2.5885 1.4414 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