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
1.3892 0.9433 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6938 0.7931 -1.8467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 0.3789 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5647 0.1140 -1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4127 -0.2683 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0092 -0.4022 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 -0.1376 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1840 0.2499 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4937 0.5083 0.8554 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4211 -0.5224 0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0961 -1.6838 0.4812 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8064 -0.2496 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7564 -1.2460 1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0673 -0.9866 1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4203 0.2947 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4902 1.3152 1.8997 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1985 1.0273 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7722 -0.5580 -0.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 0.3954 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4017 1.5687 0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1704 0.1330 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6299 -1.1269 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9633 -1.3991 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9021 -0.3845 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4503 0.8815 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1084 1.1392 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3929 0.7628 -3.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1308 1.2565 -3.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7276 0.9888 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9665 0.1938 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6737 -0.7057 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6824 -0.2284 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5023 -2.2681 0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8352 -1.7476 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4407 0.5567 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7295 2.3240 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4223 1.7994 1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9169 -1.9355 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3156 -2.3803 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9585 -0.5958 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1596 1.6966 -0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8124 2.1485 -0.1811 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