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
-2.2839 -2.5302 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1139 -2.0717 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4961 -0.8629 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9036 -0.7806 -0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5966 0.3120 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 1.3708 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4513 1.2922 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1874 0.1666 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5558 0.1194 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4545 0.6583 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9723 1.2036 -1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9000 0.5833 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3491 -0.0327 0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7103 -0.1350 1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6169 0.3824 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1702 1.0006 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8214 1.0943 -1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9759 0.3881 -0.3374 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8880 -0.0415 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4612 -0.5255 1.6901 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3253 0.0476 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2070 -0.3850 1.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5722 -0.2890 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1008 0.2326 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1981 0.6647 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8337 0.5734 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6658 -3.4756 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9184 -2.0550 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5822 -2.7091 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4495 -1.6039 -0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4962 2.2337 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9686 2.1250 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6032 -0.4393 1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9678 -0.6353 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6745 0.3050 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9198 1.4117 -1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4631 1.5827 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8193 -0.8007 2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2347 -0.6484 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1756 0.2934 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5911 1.0727 -1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1065 0.9071 -1.5052 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