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
-2.5999 -2.6193 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3206 -2.4013 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6074 -1.2149 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7830 -1.2574 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5510 -0.1836 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8837 0.9936 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4754 1.1154 1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1975 -0.0164 0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5645 0.1588 0.6898 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1544 0.7043 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4249 1.0239 -1.4218 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5993 0.8559 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2805 1.3793 -1.5426 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6522 1.5318 -1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4031 1.1562 -0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7279 0.6330 0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3492 0.4821 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 -0.2500 1.0459 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7474 0.0472 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 0.3669 -1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1974 -0.0150 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9364 0.2881 -1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 0.2468 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9608 -0.1067 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2543 -0.4171 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8687 -0.3643 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0617 -3.5682 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3094 -1.9447 0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7404 -3.2212 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3052 -2.1884 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 1.8349 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9593 2.0522 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6676 1.6719 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1535 1.9476 -2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4761 1.2608 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3025 0.3261 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8428 0.0626 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4663 0.5710 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8706 0.4889 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0546 -0.1311 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7499 -0.6902 2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3352 -0.6097 2.0656 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