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
0.8534 0.7007 2.9835 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3794 0.2440 1.8869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 0.0340 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7713 0.3026 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.0840 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8200 -0.4044 -1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5434 -0.6784 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2295 -0.4620 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6040 -0.7149 -0.3346 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5485 0.2643 -0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1081 1.3782 -0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9819 0.0352 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4926 -1.1904 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8590 -1.3062 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7347 -0.2878 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1877 0.9064 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8248 1.0813 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8438 0.3727 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8219 -0.5427 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4809 -1.7005 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2277 -0.1969 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1745 -1.1307 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5395 -0.8258 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9713 0.4430 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0230 1.3756 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6831 1.0605 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5185 0.8346 3.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1875 0.9402 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4306 0.0156 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2955 0.6840 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 -0.5669 -2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0787 -1.0610 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8027 -1.9773 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2889 -2.2573 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7973 -0.3894 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8736 1.7242 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4502 2.0428 -1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9138 -2.1430 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2899 -1.5572 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0247 0.6877 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3067 2.3865 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9288 1.7945 -0.8353 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