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
2.2780 -2.5750 0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1056 -2.0980 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4737 -0.9401 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9293 -0.8220 0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5833 0.2670 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8978 1.2524 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4880 1.1183 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1669 0.0129 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5225 -0.0167 -0.4705 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4369 0.6258 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9728 1.2471 1.3406 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8663 0.5941 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7344 1.2399 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1026 1.2292 0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6195 0.5505 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7714 -0.1124 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3865 -0.0890 -0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9479 0.3913 0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8856 -0.0971 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4667 -0.6888 -1.6906 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3202 0.0437 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8528 0.6880 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2026 0.7832 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1011 0.2762 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5556 -0.3601 -1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1806 -0.4633 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6696 -3.4727 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9275 -2.1587 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5533 -2.6615 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4714 -1.5906 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4203 2.1120 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0053 1.8917 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3215 1.7818 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7034 1.7651 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6821 0.5445 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1609 -0.6541 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7937 -0.6253 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1828 1.0843 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6025 1.2944 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1631 0.3782 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2124 -0.7790 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7665 -0.9674 -2.2738 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