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
-2.3707 -0.0843 2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1155 0.0676 2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -0.4087 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8896 -0.5286 1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5132 -0.9601 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8308 -1.3028 -1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5388 -1.1925 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 -0.7466 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5654 -0.6520 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1536 0.5192 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4525 1.4746 -0.8460 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6101 0.6074 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2175 1.7355 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5842 1.8473 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3691 0.8056 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7713 -0.3268 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3955 -0.4298 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8936 -1.0813 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6410 0.0082 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0236 1.0526 -0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0972 -0.0805 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7707 -1.2263 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1604 -1.2956 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9092 -0.2145 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2352 0.9402 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8453 1.0019 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7110 0.3304 3.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1185 -0.5762 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4512 0.6011 3.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4609 -0.2700 2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3397 -1.6468 -1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0834 -1.4566 -1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6150 2.5565 -1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0738 2.7320 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4490 0.8901 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3837 -1.1521 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9409 -1.3291 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1905 -2.0763 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6986 -2.2012 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9895 -0.2822 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8421 1.7763 -1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3276 1.9225 -1.0859 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