Monomers
Dibenzoic acid 2-vinyl-1,4-phenylene ester
Identifiers
IUPAC name
(4-benzoyloxy-3-ethenylphenyl) benzoate
InchI
InChI=1S/C22H16O4/c1-2-16-15-19(25-21(23)17-9-5-3-6-10-17)13-14-20(16)26-22(24)18-11-7-4-8-12-18/h2-15H,1H2
InchI Key
YJGIXTKLKQBPHL-UHFFFAOYSA-N
SMILES
C=Cc1cc(ccc1OC(=O)c1ccccc1)OC(=O)c1ccccc1
Canonical SMILES
C=CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Isomeric SMILES
C=CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C22H16O4
Heavy Atom Count
26
Molecular Weight
344.366
Exact Molecular Weight
344.1049
Valence Electrons
128
Radical Electrons
0
tPSA
52.6
MolLogP
4.768
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
3
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
3
MOL File
RDKit 3D
42 44 0 0 0 0 0 0 0 0999 V2000
-2.3370 -1.9537 1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -2.0273 1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4914 -0.9274 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 -1.0185 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5596 -0.0068 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9387 1.1540 -0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 1.2465 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1126 0.2228 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4894 0.4105 0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3594 0.0532 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8905 -0.4148 -1.8869 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7894 0.2328 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2918 0.7446 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6518 0.9286 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5460 0.5959 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0290 0.0806 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6681 -0.1031 -1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9253 -0.1070 -0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8158 0.3566 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3414 0.8500 1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2740 0.2742 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7602 -0.2707 -1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1433 -0.3458 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0251 0.1268 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5134 0.6691 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1608 0.7343 1.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7525 -2.8626 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9665 -1.0912 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6474 -2.9991 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3610 -1.9274 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4538 1.9635 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9086 2.1521 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6459 1.0338 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0115 1.3372 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6128 0.7353 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7374 -0.1820 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3216 -0.5170 -2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0718 -0.6317 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5227 -0.7683 -2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0883 0.0632 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2390 1.0296 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7539 1.1592 1.9203 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
5 18 1 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
8 3 1 0
17 12 1 0
26 21 1 0
1 27 1 0
1 28 1 0
2 29 1 0
4 30 1 0
6 31 1 0
7 32 1 0
13 33 1 0
14 34 1 0
15 35 1 0
16 36 1 0
17 37 1 0
22 38 1 0
23 39 1 0
24 40 1 0
25 41 1 0
26 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers