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
0.6661 -1.5947 2.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2239 -0.8865 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 -0.3283 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8293 -0.5245 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4444 0.0229 -0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7625 0.7476 -1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5857 0.9173 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2536 0.3980 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6116 0.5648 -0.1657 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5486 -0.3238 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1844 -1.3219 -1.3121 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9632 -0.1150 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8903 -1.0110 -0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2207 -0.7672 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6214 0.3333 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6738 1.2130 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3529 0.9989 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8134 -0.1894 -0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7216 0.7023 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 1.7182 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1393 0.4432 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5775 -0.6619 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9144 -0.9444 -1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8468 -0.0980 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4085 1.0136 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0756 1.3042 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3805 -1.8177 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2337 -1.9862 3.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -0.7124 1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4006 -1.0895 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3025 1.1502 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 1.4854 -2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5453 -1.8690 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9354 -1.4907 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6791 0.4959 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0445 2.0598 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6259 1.6996 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8600 -1.3599 -1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2009 -1.8293 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9110 -0.2518 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1265 1.7085 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7878 2.1963 0.5739 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