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
-1.0908 -1.4442 -2.7874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5058 -0.7597 -1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6455 -0.2318 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7074 -0.4316 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4786 0.0955 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 0.8061 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4441 1.0113 1.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2037 0.4903 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 0.6631 0.3252 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3840 -0.2926 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8055 -1.2622 1.5019 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8209 -0.1726 0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6106 -1.1239 1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9729 -1.0077 1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5607 0.0695 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8004 1.0227 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4297 0.9025 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8452 -0.1050 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 0.8075 -0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1701 1.7903 -0.9178 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1259 0.5349 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6449 -0.5847 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0239 -0.8162 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9033 0.0497 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3685 1.1655 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9917 1.4103 -1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0518 -1.6625 -2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 -1.8318 -3.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5857 -0.5825 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1921 -0.9942 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 1.2309 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 1.5672 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0994 -1.9614 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5475 -1.7887 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6306 0.1436 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2419 1.8856 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8532 1.6722 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9648 -1.2773 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4318 -1.6997 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9721 -0.1361 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0216 1.8823 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5697 2.2865 -1.4796 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