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
0.7990 -3.0861 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3560 -1.9819 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 -0.8163 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8099 -0.8014 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 0.3473 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8776 1.4553 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4899 1.4526 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1974 0.3079 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5924 0.2495 0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4703 0.5828 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9967 0.9494 -1.6769 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9201 0.5364 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5243 0.1407 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8970 0.1032 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7299 0.4480 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1392 0.8427 -1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7627 0.8783 -1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9162 0.4065 -0.2442 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7340 0.0569 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2086 -0.3020 1.8925 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1770 0.1267 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9599 -0.2303 1.7124 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3268 -0.1730 1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9030 0.2249 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0745 0.5761 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7107 0.5245 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2531 -3.2331 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3951 -3.9873 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4276 -1.9934 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3714 -1.6690 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4363 2.3754 0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9916 2.3426 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8502 -0.1247 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3434 -0.2064 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8032 0.4149 -0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7777 1.1204 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2892 1.1922 -2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5102 -0.5450 2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9328 -0.4551 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9656 0.2710 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5287 0.8838 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0352 0.7948 -1.3855 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