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
1.1159 -1.6292 2.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5518 -0.7304 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 0.0807 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7060 -0.0502 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5498 0.7162 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9332 1.6185 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4299 1.7721 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2240 1.0051 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 1.1359 0.0955 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3008 0.3312 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6704 -0.4687 -1.5404 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7467 0.4021 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4279 -0.3873 -1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7897 -0.3526 -1.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5414 0.4966 -1.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8766 1.3034 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5031 1.2630 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9227 0.5355 0.2899 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6336 -0.3567 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0048 -1.0620 -1.3062 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0731 -0.5340 -0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7704 0.2308 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1326 0.1360 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8440 -0.7597 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1557 -1.5352 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7763 -1.4296 -1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0615 -1.8287 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 -2.1831 3.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6172 -0.5705 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1758 -0.7683 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5684 2.2252 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9265 2.4805 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8528 -1.0720 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2488 -1.0022 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6186 0.5007 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4564 1.9886 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9916 1.8961 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2566 0.9598 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6385 0.7683 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9165 -0.8335 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7484 -2.2351 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2630 -2.0575 -1.8808 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