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
2.1006 1.6434 -2.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9703 1.0264 -2.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4083 0.4407 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9819 0.2125 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5791 -0.3650 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -0.7238 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5593 -0.4947 1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1901 0.0858 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5539 0.2483 0.2235 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4422 -0.7528 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9347 -1.8128 -0.5907 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8870 -0.5560 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7615 -1.5530 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1183 -1.3529 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6068 -0.1653 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7520 0.8605 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3929 0.6079 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9470 -0.5626 0.1309 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8408 0.3891 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3778 1.4639 1.0367 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2929 0.1872 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1341 1.1522 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5027 0.9642 0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0243 -0.2280 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1847 -1.2176 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8424 -0.9875 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7355 1.7798 -1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4735 2.0724 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3764 0.9326 -3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5780 0.5064 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2961 -1.1748 2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1340 -0.7918 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4104 -2.4991 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8466 -2.1086 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6752 0.0352 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0883 1.8010 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6797 1.3929 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7327 2.0870 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1823 1.7294 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0961 -0.3963 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5578 -2.1471 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1387 -1.7290 -0.2980 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