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
-1.0887 1.3924 -2.7796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5223 0.6223 -1.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6419 0.1661 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6906 0.4883 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 0.0315 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9574 -0.7612 1.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3825 -1.1011 1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1736 -0.6591 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5344 -0.9844 0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4992 -0.1687 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0607 0.8376 1.3751 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9177 -0.4630 0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4102 -1.5610 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7849 -1.8124 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6672 -0.9693 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1816 0.1373 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8198 0.3785 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 0.4323 0.3804 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8448 -0.2754 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5288 -1.3407 -0.8325 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2481 0.1828 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2303 -0.5463 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5533 -0.1246 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9018 1.0495 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9480 1.7816 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6291 1.3385 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7496 1.7350 -3.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0705 1.7436 -2.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5736 0.3357 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1257 1.1312 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -1.1201 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 -1.7453 2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7424 -2.2303 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1431 -2.6738 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7223 -1.2032 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8989 0.7916 1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4960 1.2558 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9867 -1.4707 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3396 -0.6718 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9306 1.4110 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1633 2.7118 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8864 1.9279 0.8891 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