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
-0.5238 2.8898 -1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1590 1.8255 -1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5188 0.7347 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8233 0.6744 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3975 -0.4005 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6241 -1.4410 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7236 -1.4044 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2877 -0.3486 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6640 -0.3516 -0.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5279 0.2038 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0970 0.7026 1.6561 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9481 0.2107 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4340 -0.3285 -0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7664 -0.3518 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6665 0.1833 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1876 0.7347 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8515 0.7622 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7798 -0.3333 0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 -0.8435 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2329 -1.3675 -1.1741 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1450 -0.7814 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0048 -1.3089 -0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3763 -1.2762 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9272 -0.7082 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0766 -0.1754 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7006 -0.2167 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 2.9617 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0208 3.6957 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2196 1.7697 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4610 1.4746 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 -2.2578 1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 -2.2260 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7563 -0.7656 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1339 -0.7868 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7345 0.1710 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9149 1.1605 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4826 1.1983 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5712 -1.7583 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9855 -1.7110 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0131 -0.6864 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5055 0.2779 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0214 0.1984 1.9654 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