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
0.7778 -3.0370 1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 -2.0519 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6086 -1.0164 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7743 -1.0234 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4962 -0.0271 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7719 0.9687 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6106 0.9933 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3173 0.0096 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6843 -0.0260 -0.7661 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4670 0.5525 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9073 1.1672 1.1328 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9150 0.4411 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5163 -0.2490 -0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8709 -0.3720 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6523 0.2014 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0514 0.8860 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6881 1.0250 1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8847 -0.0308 -0.8898 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6762 0.5827 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0820 1.1732 1.0014 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1424 0.5558 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7916 -0.0894 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1659 -0.1394 -1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9440 0.4764 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3149 1.1311 0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9224 1.1700 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2790 -3.1450 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3594 -3.7949 1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4490 -2.0184 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3700 -1.7821 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2988 1.7698 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1653 1.7930 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8872 -0.7022 -1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3704 -0.9086 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7297 0.1323 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6562 1.3429 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2143 1.5543 1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2177 -0.5826 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6747 -0.6467 -1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0171 0.4211 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9472 1.6070 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4918 1.6889 1.7723 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