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
-0.9886 2.4555 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4510 1.5191 -1.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 0.6313 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7427 0.7244 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5143 -0.1195 0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8933 -1.0510 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 -1.1410 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2719 -0.2952 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6349 -0.3679 0.3335 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4164 0.3617 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8234 1.1017 2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8620 0.2173 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4852 -0.6161 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8556 -0.7477 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6643 -0.0472 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0476 0.7923 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6588 0.9162 2.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 -0.0874 0.2684 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 -0.8129 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1550 -1.5574 -1.4189 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1558 -0.7207 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9282 -1.4620 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3266 -1.4068 -1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9528 -0.5825 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1672 0.1562 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7737 0.0884 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0559 2.6369 -2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6503 3.1011 -2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5261 1.4247 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2533 1.4511 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4677 -1.7316 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9742 -1.8825 1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8556 -1.1859 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3125 -1.4048 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7440 -0.1196 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6540 1.3642 2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2063 1.5820 2.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4298 -2.0932 -2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9406 -1.9891 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0374 -0.5548 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6632 0.7883 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1679 0.6643 1.0967 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