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
-0.6106 1.6013 -3.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2511 1.2682 -1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5605 0.9308 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8256 0.9458 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 0.6237 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 0.2860 1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6618 0.2672 1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2948 0.5876 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6748 0.5816 0.3079 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4107 -0.5146 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8043 -1.5821 -0.3335 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8807 -0.4516 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5665 0.7098 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9449 0.8098 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6293 -0.3323 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9824 -1.5115 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6063 -1.5610 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 0.6172 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 -0.4875 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0768 -1.5501 0.0973 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0900 -0.4449 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7091 0.7170 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0740 0.7895 1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8529 -0.3164 0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2651 -1.4870 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8818 -1.5444 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 1.6623 -3.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2221 1.8401 -3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3268 1.2419 -1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4377 1.2026 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1726 0.0236 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2594 0.0024 2.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9871 1.5902 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4813 1.7264 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7132 -0.2930 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5355 -2.4123 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0447 -2.4781 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0925 1.5797 1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5726 1.6945 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9467 -0.2980 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8947 -2.3446 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4572 -2.4827 0.0915 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