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
2.1951 -0.4044 -2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0978 -0.8477 -2.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4775 -0.3684 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9048 -0.6257 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 -0.2313 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8958 0.4230 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4523 0.6850 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1472 0.2835 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5194 0.5383 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4715 -0.3165 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0779 -1.3523 1.0240 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9049 -0.0823 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8065 -0.9743 0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1746 -0.7902 0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6635 0.3316 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7885 1.2446 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4292 1.0340 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 -0.4511 0.4325 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9170 0.4365 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5421 1.4962 -0.5247 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3458 0.2306 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8446 -0.9031 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1997 -1.0672 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1233 -0.1132 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6204 1.0143 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2560 1.1713 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7698 0.3739 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5970 -0.8223 -3.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5979 -1.6582 -2.7501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 -1.1439 -1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4363 0.7386 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0230 1.1940 1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4104 -1.8690 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8401 -1.5343 1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7483 0.4687 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1876 2.1382 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7369 1.7495 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1202 -1.6357 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5997 -1.9590 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1763 -0.2634 0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3118 1.7902 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8529 2.0716 -0.6853 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