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
-0.6714 -0.0948 3.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2710 0.1389 2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5372 0.4123 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8336 0.4364 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4733 0.6961 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7382 0.9274 -1.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6225 0.9023 -1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3028 0.6465 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6784 0.6268 -0.2291 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4144 -0.5196 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8143 -1.5773 -0.6959 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8832 -0.4283 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6744 -1.5394 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0503 -1.4460 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6459 -0.2384 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8819 0.8854 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5108 0.7694 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8545 0.7391 -0.4124 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6424 -0.3355 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0924 -1.4495 -0.8964 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1045 -0.1899 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7193 1.0275 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1009 1.1833 -0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8892 0.0926 -1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2678 -1.1218 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8922 -1.2812 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 -0.1106 3.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2724 -0.2896 4.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3723 0.1261 2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4344 0.2515 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2214 1.1394 -2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1915 1.0890 -2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1715 -2.4859 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6272 -2.3365 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7182 -0.1262 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3619 1.8280 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8897 1.6323 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0926 1.8880 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5769 2.1564 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9620 0.1920 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8796 -1.9748 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4086 -2.2414 -1.2743 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