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
-2.5234 1.1795 -2.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2815 0.8023 -2.1721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5460 0.7364 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8435 0.7029 -1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5946 0.6268 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9995 0.5828 1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3639 0.6168 1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1366 0.6923 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5008 0.7171 0.4533 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2535 -0.4591 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6191 -1.5429 0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6842 -0.3849 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3121 0.8403 0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6719 0.9362 0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4273 -0.2223 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8318 -1.4593 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4560 -1.5143 0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9845 0.5899 0.0986 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7141 -0.5650 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1453 -1.6737 -0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1760 -0.5265 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9383 -1.6746 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3149 -1.5994 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9919 -0.3984 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2428 0.7564 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8658 0.6791 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1193 1.4900 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 1.1850 -3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7580 0.4965 -3.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3216 0.7365 -1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6181 0.5223 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8346 0.5831 2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7585 1.7746 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1601 1.9072 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5011 -0.0863 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4282 -2.3647 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0195 -2.5154 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4093 -2.6261 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9214 -2.5051 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0782 -0.3297 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7573 1.7066 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2521 1.5872 0.1207 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