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
1.2081 -3.2808 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5707 -2.0414 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7034 -0.8826 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6175 -1.0385 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4019 0.0803 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8952 1.3513 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4414 1.5436 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1851 0.3961 0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5188 0.5608 0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4765 0.6825 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 0.6416 -1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8695 0.8546 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2269 0.8955 1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5654 1.0607 1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5071 1.1803 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1167 1.1354 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8026 0.9731 -0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7556 0.0050 -0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7707 -0.0743 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4561 -0.0786 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1860 -0.1536 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1569 -0.2313 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5152 -0.3077 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9198 -0.3070 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9603 -0.2297 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6026 -0.1536 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 -4.0681 0.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1855 -3.5232 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6104 -1.8268 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -1.9949 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5146 2.2311 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8586 2.5267 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 0.8019 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7923 1.0861 2.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5334 1.3071 1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8848 1.2329 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5126 0.9398 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8658 -0.2339 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2712 -0.3687 1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9738 -0.3665 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3038 -0.2308 -2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8804 -0.0943 -2.2327 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