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
0.6792 -3.2696 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2751 -2.1098 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5182 -0.8727 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 -0.8653 0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 0.3272 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9037 1.4963 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4799 1.4865 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2047 0.3285 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5795 0.2904 0.9804 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3871 0.3889 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 0.5260 -1.2532 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8476 0.3401 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6403 0.4413 -1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0259 0.3976 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6436 0.2494 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8619 0.1449 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4756 0.1910 1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9795 0.3024 0.8814 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5752 0.4247 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8793 0.5496 -1.3994 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0345 0.4127 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8100 0.2743 0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1792 0.2588 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7743 0.3795 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9982 0.5171 -1.8617 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6216 0.5343 -1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 -4.1667 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -3.3839 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -2.0269 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4511 -1.7654 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4602 2.4279 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0177 2.4285 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1357 0.5575 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6447 0.4777 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7134 0.2124 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3181 0.0272 2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 0.1097 2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3235 0.1808 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7775 0.1508 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8431 0.3682 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4230 0.6157 -2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9848 0.6427 -2.6565 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