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
2.4229 2.4927 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2044 2.2275 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5199 0.9999 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8778 1.0480 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5995 -0.0580 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9369 -1.2423 -1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -1.3135 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1821 -0.1694 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -0.2074 -0.6781 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2708 -0.5527 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5957 -0.8342 1.4871 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7250 -0.5950 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3637 -0.9440 1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7537 -0.9915 1.7425 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5182 -0.6841 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8938 -0.3295 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5151 -0.2966 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9959 0.0124 -0.7925 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7673 -0.2161 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2152 -0.4978 1.4089 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2137 -0.1382 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9945 -0.3671 1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3693 -0.2913 1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0279 0.0169 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2711 0.2491 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8954 0.1722 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0883 1.8760 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8974 3.4663 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6736 2.9863 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3899 1.9942 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5262 -2.1321 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 -2.2133 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7613 -1.1840 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2266 -1.2758 2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6048 -0.7349 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4997 -0.0895 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0270 -0.0212 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4885 -0.6142 2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9985 -0.4699 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1123 0.0780 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7900 0.4948 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2813 0.3491 -1.7632 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