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
2.2579 1.3139 2.3499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 0.6888 2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 0.2999 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8936 -0.0151 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 -0.4017 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8999 -0.5000 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4393 -0.2039 -1.3817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 0.1918 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 0.4764 -0.3283 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3608 -0.5862 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 -1.7383 -0.0522 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7961 -0.4015 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6884 -1.4441 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0483 -1.2249 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5228 0.0595 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6442 1.1043 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2921 0.8866 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9089 -0.6987 -0.1082 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8271 0.3219 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3887 1.4791 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2654 0.0909 -0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1377 1.1326 -0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4952 0.9439 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9610 -0.3324 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1007 -1.3907 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7345 -1.1951 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 1.5582 3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 1.6362 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6036 0.4238 3.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3857 0.0757 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4315 -0.8103 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9893 -0.2681 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3070 -2.4652 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6980 -2.0861 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5919 0.2278 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0090 2.1019 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6342 1.7426 -0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7652 2.1356 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2148 1.7465 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0303 -0.4727 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4929 -2.3944 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0271 -2.0086 0.1318 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