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
0.8057 1.0426 -3.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 0.8003 -1.9174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5864 0.3087 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7619 0.0632 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -0.4072 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8502 -0.6391 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5131 -0.4089 1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2153 0.0567 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 0.2995 0.5021 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5378 -0.6437 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1418 -1.7906 -0.1339 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9763 -0.3692 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4326 0.8614 0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8003 1.0867 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7095 0.0889 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2379 -1.1488 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8822 -1.3508 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8859 -0.6285 0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7679 0.3988 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3050 1.5054 0.7374 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2140 0.2019 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1127 1.1981 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4591 0.9730 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9413 -0.2546 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0430 -1.2682 -0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6932 -1.0244 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 0.9217 -3.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4589 1.4148 -3.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4230 0.9640 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2935 0.2465 -1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3887 -1.0060 2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0704 -0.5787 2.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7752 1.6725 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2130 2.0456 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7812 0.2295 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8882 -1.9737 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4904 -2.3218 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7547 2.1666 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1918 1.7545 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0247 -0.4183 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4529 -2.2158 -0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0205 -1.8526 -0.4094 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