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
2.2998 -2.3748 1.7885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.9633 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4940 -1.2127 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 -1.2032 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 -0.5048 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 0.1956 -1.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6211 0.2117 -1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2413 -0.5085 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 -0.4745 -0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2468 0.5660 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5444 1.4662 0.8955 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6983 0.5721 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3516 1.6170 1.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7295 1.5946 1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4419 0.5704 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7591 -0.4458 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3924 -0.4427 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9078 -0.4626 -0.6632 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7287 0.4708 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1939 1.3532 0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1827 0.4901 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9502 1.4587 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3247 1.4856 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9842 0.5523 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2089 -0.4159 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8388 -0.4403 -1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0698 -2.2103 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6494 -2.9450 2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 -2.2228 2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -1.7607 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2632 0.7499 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2275 0.7560 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8114 2.4243 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2933 2.3872 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5194 0.5295 0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3081 -1.2464 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8938 -1.2760 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4440 2.1945 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9289 2.2562 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0639 0.5915 -0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7181 -1.1670 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2636 -1.2160 -1.5330 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