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
-1.0279 -2.6554 -1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4975 -1.5050 -1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 -0.4315 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -0.5660 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 0.4700 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0331 1.6449 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 1.7636 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2007 0.7616 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5677 0.8422 -0.5369 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3903 0.5092 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8406 0.0817 1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8425 0.6152 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6371 0.2717 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0049 0.4005 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6067 0.8646 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8103 1.2100 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4510 1.0793 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 0.3475 -0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6433 -0.1373 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9472 -0.4430 1.4714 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0924 -0.2850 0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7031 -0.7662 1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0881 -0.9103 1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8311 -0.5713 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2068 -0.0871 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8189 0.0592 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0149 -2.9033 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7044 -3.4709 -2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5596 -1.3773 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2578 -1.4851 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6443 2.4794 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 2.6922 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1449 -0.0899 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6175 0.1230 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7022 0.9507 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2474 1.5763 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8178 1.3541 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1351 -1.0363 2.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5512 -1.2932 2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9007 -0.6905 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8117 0.1677 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3670 0.4397 -1.5369 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