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
-2.9831 2.4682 -3.5176 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7148 2.2218 -3.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8559 3.3732 -3.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4211 3.4489 -3.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3385 2.3638 -3.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 2.5967 -3.3167 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0152 1.0561 -3.1253 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9232 0.0202 -2.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7466 0.2129 -1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6791 -0.9823 -1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7792 -0.8637 -0.0552 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6542 -2.3383 0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4786 -2.5496 1.4893 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6720 -3.9729 1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2773 -3.0409 2.8353 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4505 -1.0401 1.9336 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8404 0.4299 -0.1911 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9460 0.3571 -1.4627 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.3528 -1.3481 -2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2087 1.3137 -2.9134 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4998 1.2769 -0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7736 -0.8064 1.3075 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6684 0.6748 2.0714 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.4166 0.5102 3.7979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 1.1879 2.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5254 2.0676 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4008 0.9403 -3.1858 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 -0.2120 -2.9933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8780 -0.4134 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9348 0.6063 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7836 -0.0062 0.1471 Si 0 0 0 0 0 4 0 0 0 0 0 0
-3.6155 0.3122 1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9203 -0.4341 2.8290 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.3853 0.2252 3.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1344 -2.2964 2.6532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4091 -0.1782 3.9311 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2680 0.6705 0.3896 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4915 2.3036 0.3377 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3483 2.6407 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9945 3.0655 1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6562 3.2350 -1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8858 -1.6953 -0.0436 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3108 -2.2813 -0.6649 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.3199 -2.0426 -2.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8596 -1.5492 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3746 -4.1431 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3636 4.3748 -3.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8813 4.4634 -3.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 -0.0836 -3.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3172 -0.9265 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3800 1.0919 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0657 0.2416 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3386 -0.9840 -2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1189 -1.9427 -1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1032 -4.3030 2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1486 -4.8385 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5014 -3.7008 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6588 -2.6814 3.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2307 -4.1667 2.9225 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2525 -2.6774 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3195 -0.9908 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9121 -0.0945 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8734 -1.1898 2.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4745 -2.0103 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1944 -1.8120 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7616 -1.2858 -3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7059 0.6130 -3.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9940 1.9040 -3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4411 2.0347 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3021 2.3707 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6189 1.1620 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3785 0.9740 -1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1140 -0.4458 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5172 0.5261 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1752 1.4000 4.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3226 1.2283 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8986 2.2174 2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3653 0.4675 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6148 2.0588 1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3078 2.1570 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1485 3.0265 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8239 -0.4437 -3.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3541 -1.0863 -3.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 -1.4480 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1774 -0.5028 -0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3877 1.5441 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6230 0.6609 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1109 1.1774 4.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6206 -0.4955 4.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2997 0.3031 3.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5927 -2.6912 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2395 -2.5014 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7672 -2.8187 3.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 -0.8635 4.7826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4676 -0.2531 3.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4221 0.8783 4.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7301 2.0648 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8823 2.3654 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5270 3.7088 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9616 2.8201 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2214 4.1376 1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7404 2.6516 2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1902 4.2270 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7031 2.7799 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6161 3.5393 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3184 -2.1944 -2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0881 -2.7088 -2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5815 -0.9772 -2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1672 -0.6326 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6891 -2.2882 -0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8739 -1.3948 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2747 -4.5014 -0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5047 -4.6384 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4846 -4.3450 0.6999 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