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
-0.5002 -0.5506 3.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 -0.1719 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5284 -0.0797 0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8128 -0.3881 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4250 -0.2938 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6616 0.1099 -1.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6840 0.4183 -1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2870 0.3279 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6202 0.6189 -0.1006 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5682 -0.3846 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1609 -1.5312 -0.5256 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9940 -0.1339 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9276 -1.1338 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2606 -0.8780 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6815 0.4022 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7628 1.4198 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4368 1.1366 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7693 -0.6112 -0.7268 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7620 0.3451 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4068 1.5115 -0.3104 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1890 -0.0057 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1254 0.9667 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4849 0.6853 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9074 -0.5925 -0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9440 -1.5655 -1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5862 -1.2766 -0.9423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5292 -0.8157 3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0316 -0.6050 4.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2596 0.0803 2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4408 -0.7071 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0996 0.1942 -2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2485 0.7293 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6164 -2.1244 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0385 -1.6221 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7209 0.6457 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0633 2.4219 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7313 1.9571 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8697 1.9987 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2234 1.4620 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9482 -0.8760 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2813 -2.5804 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8363 -2.0649 -1.0824 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