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
-0.7089 -0.8222 3.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 -0.2354 2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5447 0.2561 0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8355 0.1359 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5609 0.6149 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8500 1.2145 -1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 1.3515 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2236 0.8699 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5984 0.9761 0.0425 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4792 0.0184 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9901 -0.9966 -0.9653 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9154 0.1446 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4401 1.2797 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8062 1.4285 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6220 0.4269 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1216 -0.7079 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7522 -0.8387 -0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9358 0.4954 -0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6035 -0.5593 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9534 -1.5162 -1.2917 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0701 -0.5489 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7772 -1.5994 -1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1621 -1.5854 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8890 -0.5408 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1827 0.5091 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7927 0.4932 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3463 -0.9806 3.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2996 -1.1851 3.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3859 -0.1212 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4203 -0.3301 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 1.5939 -2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0754 1.8344 -1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7742 2.0607 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2320 2.3114 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6830 0.5275 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7694 -1.4828 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3745 -1.7455 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2041 -2.4276 -1.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7148 -2.4073 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9700 -0.5739 -0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7235 1.3446 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2309 1.3176 0.1478 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