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
-1.1214 1.4370 2.7151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 0.9910 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 0.4112 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6470 0.2951 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4902 -0.2563 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9518 -0.6954 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4244 -0.5960 -1.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2248 -0.0437 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5799 0.0772 -0.8664 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 -0.9470 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9345 -1.9715 0.0378 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8765 -0.8349 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7189 -1.8541 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0704 -1.7514 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6040 -0.6196 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7780 0.4158 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4005 0.3022 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8412 -0.3570 0.0254 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7430 0.6322 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3102 1.6569 -0.8618 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1808 0.5039 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7219 -0.6100 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0839 -0.7155 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9497 0.2972 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4118 1.4140 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0439 1.5165 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0896 1.4128 3.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8205 1.8631 3.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6263 1.0637 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1215 0.6258 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5656 -1.1223 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7960 -0.9558 -2.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2539 -2.7223 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7212 -2.5635 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6772 -0.5284 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1964 1.3007 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7610 1.1256 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0464 -1.3967 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5018 -1.5958 1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0067 0.1824 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0950 2.2097 -0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6423 2.4031 -0.8853 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