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
-0.9856 -3.1164 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4827 -1.9559 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 -0.8062 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7386 -0.8341 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5005 0.2691 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8748 1.4336 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5201 1.4835 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2808 0.3792 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6673 0.3987 -0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3626 0.7606 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7136 1.0566 1.8010 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8047 0.8082 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4967 0.4752 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8642 0.5195 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5701 0.8833 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8528 1.2066 1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4755 1.1767 1.9631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8776 0.2304 -0.1235 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6555 -0.1323 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1031 -0.4391 -2.3010 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1240 -0.1571 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8779 -0.5184 -2.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2644 -0.5299 -2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8543 -0.1918 -0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0734 0.1672 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7186 0.1783 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 -3.9308 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 -3.2972 0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 -1.8656 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2508 -1.7574 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4138 2.3381 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 2.3834 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9864 0.1856 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4180 0.2665 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6586 0.9010 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3909 1.4934 2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8976 1.4284 2.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4589 -0.7885 -3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9166 -0.8021 -2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9350 -0.1960 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5421 0.4401 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0936 0.4555 0.9188 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