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
-2.3493 -2.5969 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1155 -2.3494 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -1.0838 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9868 -1.0738 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6849 0.1115 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 1.3032 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3857 1.3093 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0932 0.0952 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4682 0.1392 -0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2495 0.3332 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6344 0.4691 1.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7029 0.3811 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3923 0.5773 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7616 0.6357 1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5117 0.4954 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8183 0.2974 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4387 0.2408 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0692 0.1742 -0.8385 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 0.2333 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9998 0.2270 1.4199 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1490 0.3009 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9221 0.3077 -0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3004 0.3731 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8776 0.4298 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0834 0.4223 1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7140 0.3565 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1056 -1.9427 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 -3.6553 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -3.2062 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5387 -2.0174 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5140 2.2486 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 2.2240 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8173 0.6923 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2556 0.7907 2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5919 0.5388 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4222 0.1897 -1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9220 0.0839 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 0.2651 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9460 0.3809 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9635 0.4812 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5144 0.4658 2.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1007 0.3514 2.6638 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