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
-2.4131 -0.8631 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1603 -0.9342 2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 -0.1264 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 -0.1444 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 0.5931 0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9526 1.3623 -0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4204 1.3744 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1597 0.6464 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 0.7443 0.1039 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2937 -0.0137 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 -0.8151 -1.5388 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7412 0.1661 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5675 -0.5412 -1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9240 -0.3354 -1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5127 0.5701 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6986 1.2814 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3456 1.0721 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0340 0.5693 0.1352 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7345 -0.3473 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0608 -1.1641 -1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1949 -0.3918 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9721 0.4842 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3631 0.4372 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0018 -0.4981 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2312 -1.3846 -1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8435 -1.3282 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1634 -0.1967 2.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7685 -1.5580 3.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 -1.7017 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4506 -0.7696 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5417 1.9306 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9078 2.0087 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1518 -1.2486 -2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5924 -0.8909 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5667 0.7105 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1362 1.9890 0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6951 1.6421 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4875 1.2239 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9718 1.1303 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0944 -0.5213 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7639 -2.1104 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2775 -2.0513 -2.0278 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