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
-2.2025 1.4560 1.6778 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7271 1.2441 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2960 1.0324 0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 1.0415 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9613 0.8279 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7801 0.8301 2.0724 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4384 0.6178 -0.1344 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7661 0.3972 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6144 1.5599 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0517 1.4608 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9592 -0.0095 0.1474 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.4926 0.5022 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7027 -0.6855 0.6248 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.6773 -0.7749 2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0825 -2.3832 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9243 -0.1830 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0429 -0.6995 1.4338 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5144 -0.1683 2.9692 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6310 -1.4999 3.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4910 1.4200 2.9431 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0673 -0.0040 4.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1055 -1.1975 -1.0461 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3644 -0.6582 -2.6212 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.7219 -0.6118 -3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3854 -2.0079 -3.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2720 0.9378 -2.7722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6272 1.2319 -0.5161 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0278 1.4479 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7573 1.3504 -1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2122 1.5593 -1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2317 0.4653 -0.5335 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.7482 1.2981 -0.2635 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0331 0.4848 -1.0252 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.4521 -1.1179 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5344 1.5913 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6647 0.1746 -2.8346 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6224 -1.0465 -1.1161 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4346 -2.0939 -1.6012 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.0112 -2.1207 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1667 -3.8422 -1.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8161 -1.8449 -3.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5279 0.2867 1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4297 1.0965 2.2083 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.0832 2.7438 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3253 1.4037 3.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8811 0.0853 2.8076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0697 0.8620 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1895 1.2091 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1815 -0.5425 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7540 0.3853 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5793 1.7958 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2030 2.4638 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5705 2.3834 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1333 1.4253 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3676 -1.6571 2.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7553 -0.9682 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6724 0.1808 2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0508 -2.5813 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2866 -2.6174 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7125 -3.1217 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6570 0.7857 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9575 -0.9464 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9589 -0.0780 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5152 -1.0537 4.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0811 -2.1100 4.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9684 -2.2238 2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2715 1.9898 2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5593 1.2192 3.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1310 2.0504 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4185 -0.2234 5.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3159 -0.7608 3.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6552 1.0368 4.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8041 -1.1583 -4.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3642 0.4256 -3.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0021 -1.2013 -2.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1163 -2.9936 -3.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1433 -2.0123 -4.5694 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4490 -1.8251 -3.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2209 0.7673 -3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6789 1.6141 -3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4712 1.4675 -1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3427 0.5913 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2330 2.3666 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3384 2.1937 -2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4698 0.4447 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5971 1.5261 -2.6201 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4047 2.6192 -1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1423 -0.9537 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9671 -1.8192 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5231 -1.5596 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5769 2.2546 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5199 2.2102 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4296 0.9376 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2517 0.8736 -3.4942 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9533 -0.8484 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6137 0.3094 -3.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2798 -1.6299 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1871 -1.5123 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6066 -3.1446 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3940 -4.5619 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3583 -4.0275 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0948 -3.8914 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3261 -2.5436 -4.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7396 -2.1269 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8773 -0.7973 -3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2000 2.7310 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9212 3.5537 2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6365 3.1217 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9206 2.0912 4.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1210 0.4501 4.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4350 1.9250 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8286 0.3661 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7140 -1.0063 2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0448 0.2719 3.8887 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