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
-0.9419 -0.9936 -3.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -0.3640 -2.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6050 0.2151 -1.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 0.1440 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5451 0.6904 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9665 1.3408 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 1.4249 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1902 0.8760 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 0.9940 -0.2244 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3719 0.0734 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8252 -0.9280 0.9394 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8127 0.2087 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4804 1.2839 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8660 1.4120 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5927 0.4616 0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9485 -0.6243 1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5579 -0.7444 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9449 0.6323 -0.4717 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6123 -0.4228 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8761 -1.3004 0.6736 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0653 -0.5244 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8530 0.4394 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2210 0.3848 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8305 -0.6855 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0913 -1.6789 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7010 -1.5837 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6142 -1.4186 -4.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1111 -1.1460 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5153 -0.2726 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2836 -0.3638 -2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5572 1.7868 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 1.9503 1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8785 2.0261 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3683 2.2630 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6822 0.5500 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5556 -1.3585 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0747 -1.5989 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3512 1.2759 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7729 1.1605 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9100 -0.7221 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5809 -2.5146 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1256 -2.3490 1.2290 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