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
0.9236 2.3044 2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4751 1.3499 1.9516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6623 0.3502 1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.3448 1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 -0.6461 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 -1.6267 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 -1.6193 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3289 -0.6319 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7123 -0.6102 0.4671 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3052 0.0887 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6450 0.7201 -1.4313 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7620 0.0988 -0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5273 -0.5800 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9014 -0.6001 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5304 0.0844 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7709 0.7602 -1.7125 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4167 0.7762 -1.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7927 -0.7195 0.8735 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6507 -0.1062 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1156 0.5563 -0.9481 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1096 -0.2153 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6829 -0.9412 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0465 -1.0724 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8894 -0.4548 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3225 0.2738 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 0.4041 -0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1172 2.4426 2.8578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5588 3.0696 3.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5644 1.3641 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 1.0699 1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3124 -2.3983 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0964 -2.3988 -0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0358 -1.1206 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4817 -1.1337 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5957 0.1098 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2923 1.2955 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8376 1.3129 -2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0377 -1.4324 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4390 -1.6569 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9475 -0.5591 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9760 0.7634 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5506 0.9839 -1.6173 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