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
-1.0022 2.4319 -0.7983 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3152 1.1995 -0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3199 0.1850 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5838 -1.1015 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4049 -2.1175 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0955 -3.3230 -0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -1.7790 -0.0128 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6237 -2.7879 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 -2.2122 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5450 -1.3385 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1865 -0.6449 0.1433 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.1901 -0.6990 1.8549 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7011 0.7227 2.6151 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.4475 1.7192 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1713 1.8033 3.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9376 0.2179 4.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4923 -1.6135 -0.3688 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3244 -2.3722 -1.8475 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.3479 -1.4958 -3.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0507 -2.7396 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5466 -4.0682 -1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3291 0.9678 -0.3458 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9041 1.4501 -0.7520 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1989 3.2035 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0570 1.4459 -2.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2081 0.3679 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5851 0.8761 -1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6157 1.7629 -1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9757 2.6133 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4118 1.6723 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8876 0.6555 0.1583 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.8799 0.4329 1.5358 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0203 -0.4127 2.7252 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.1994 -1.3331 3.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0455 0.7932 3.7616 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8718 -1.7100 2.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3046 -0.8462 -0.4225 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3582 -1.5901 -1.5272 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.3455 -0.8250 -3.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7867 -3.3788 -1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1135 -1.6554 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6991 1.5336 -1.0682 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9118 2.5592 -0.4832 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1676 3.9130 -1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4966 3.3886 1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5148 1.6025 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6610 0.4880 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5898 -1.3774 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2546 -3.4544 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7771 -3.3777 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6535 -3.0159 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7671 -1.6251 1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5969 -1.8780 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8369 -0.5022 -0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7228 2.8099 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3129 1.4743 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4350 1.5883 2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0533 1.3655 2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9772 2.8600 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3678 1.8193 4.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8401 0.1140 4.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1187 1.0150 5.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3254 -0.7493 4.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9989 -1.2707 -4.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9491 -0.5201 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5337 -2.1496 -3.5547 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4281 -1.8193 -2.9812 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8853 -3.4833 -3.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7070 -3.1530 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4869 -4.6220 -2.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2783 -4.6239 -0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6176 -4.0084 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1281 3.2774 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3409 3.9112 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3745 3.5787 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7072 2.2799 -2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5421 0.5006 -2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0816 1.5676 -3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6444 -0.2843 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0734 0.9812 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8462 -0.1968 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3362 2.4189 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5386 1.1962 -1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 3.3348 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0711 3.1578 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 1.0055 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7023 2.2902 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0077 -1.8119 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5733 -0.6773 4.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6159 -2.1509 4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0502 0.4343 4.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0081 0.8582 3.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5779 1.7613 3.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0266 -1.3009 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4278 -2.2274 2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4499 -2.4896 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3222 -1.0956 -3.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3070 0.2710 -3.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5599 -1.2968 -3.8602 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7242 -3.3264 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8369 -3.8128 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4203 -3.9088 -2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4064 -2.6726 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2642 -0.9889 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8290 -1.3843 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0859 4.4733 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2426 4.5476 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1652 3.4356 -2.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8114 4.2504 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4388 3.8194 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0737 2.7345 1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4890 0.8776 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5733 1.0269 0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3950 2.2579 -0.5808 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