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
1.9904 -3.0090 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8283 -2.5532 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3260 -1.2103 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0635 -1.0310 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 0.1643 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8752 1.2355 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4973 1.0842 1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0957 -0.1339 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4485 -0.2232 0.9194 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3642 0.0980 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9700 0.5128 -1.1588 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7858 -0.0373 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7137 0.2883 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0609 0.1495 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5487 -0.3037 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6271 -0.6272 1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2793 -0.4899 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0522 0.3535 0.4461 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6702 0.7234 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9217 0.8844 -1.7372 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1059 0.9202 -0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9653 0.7564 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3261 0.9449 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8273 1.3115 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0090 1.4896 -2.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6419 1.2871 -2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6946 -2.4361 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 -4.0354 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1990 -3.2545 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 -1.8788 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3623 2.1901 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 1.9567 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3445 0.6519 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8029 0.4009 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6137 -0.4107 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9653 -0.9919 2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5175 -0.7385 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5440 0.4690 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0144 0.8189 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9065 1.4639 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4166 1.7762 -3.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0165 1.4331 -2.9403 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