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
-0.9844 3.1287 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4111 1.9374 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5756 0.7554 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7910 0.8380 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5426 -0.3303 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 -1.5259 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4362 -1.5560 -0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2199 -0.4367 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6032 -0.5023 -0.6376 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4744 -0.7734 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 -0.9704 1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9245 -0.8394 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7571 -1.1151 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1276 -1.1814 1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7264 -0.9745 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8969 -0.6982 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5250 -0.6329 -1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9108 -0.2087 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7936 0.0907 -0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3732 0.2758 -2.1609 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2118 0.1895 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6779 -0.0114 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0331 0.0791 0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9097 0.3829 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4798 0.5915 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1177 0.4905 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6328 4.0001 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0608 3.3202 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5050 1.8503 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3047 1.7725 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5291 -2.4203 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9661 -2.4822 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2892 -1.2798 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7844 -1.3971 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8121 -1.0256 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3599 -0.5315 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9381 -0.4132 -1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0076 -0.2468 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3645 -0.0857 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9810 0.4613 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1681 0.8284 -2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7370 0.6463 -2.6728 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