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
-0.8385 1.8535 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 1.4386 1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5912 1.0854 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7843 1.1681 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4985 0.8211 -0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8332 0.3950 -1.8884 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5475 0.3208 -1.8867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2931 0.6584 -0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6876 0.5756 -0.8059 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3416 -0.5839 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5831 -1.5476 -0.0769 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7898 -0.7203 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5635 0.3433 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9565 0.2819 -0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5602 -0.8988 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8031 -1.9812 -0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4100 -1.8855 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8902 0.9114 -0.7084 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6198 -0.1958 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9470 -1.2344 0.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0473 -0.2409 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6809 -1.3772 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0593 -1.4789 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8166 -0.3814 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1849 0.7753 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7985 0.8544 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 1.9577 2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4801 2.1107 3.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4833 1.3496 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3435 1.5036 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3982 0.1222 -2.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0769 -0.0146 -2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1333 1.2966 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5621 1.1146 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6469 -1.0184 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2339 -2.9212 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8315 -2.7404 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0937 -2.2469 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4803 -2.4104 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8946 -0.4549 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8338 1.6038 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3952 1.7911 -0.8729 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