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
-0.7837 -1.1284 -3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3195 -0.4029 -2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 0.2212 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8409 0.1162 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.7356 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8972 1.4719 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4726 1.5927 0.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1885 0.9887 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5690 1.1085 -0.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4211 0.2129 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8733 -0.7209 1.0945 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8693 0.3142 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7067 -0.5849 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0712 -0.4788 0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6198 0.5525 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7980 1.4715 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4251 1.3450 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9358 0.5404 0.0749 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5794 -0.4902 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8785 -1.3156 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0498 -0.6343 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6747 -1.6622 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0668 -1.7735 1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8263 -0.8518 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1990 0.1945 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8280 0.2610 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2681 -1.2995 -3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 -1.5748 -3.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4069 -0.2614 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 -0.4748 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 1.9467 1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9992 2.1802 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2873 -1.3975 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6791 -1.2146 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7044 0.6227 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2428 2.2834 -1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8403 2.0942 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1406 -2.4042 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5784 -2.5790 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8894 -0.9703 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8012 0.8923 -0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3298 1.0732 -0.5434 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