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
0.9083 2.9622 1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4223 1.8977 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 0.7818 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7862 0.7459 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5139 -0.3813 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8476 -1.4432 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5260 -1.4182 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 -0.3087 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6085 -0.2801 -0.6171 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4257 -0.7633 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9393 -1.2151 1.4656 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8891 -0.7630 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6935 -1.2391 1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0592 -1.2411 1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6342 -0.7525 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8436 -0.2672 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4763 -0.2802 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8709 -0.3927 0.1367 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7006 0.0967 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1666 0.5270 -1.9114 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1434 0.1202 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7976 -0.3406 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1509 -0.3162 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9032 0.1838 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2889 0.6539 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9222 0.6112 -1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1329 3.0758 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5266 3.8227 1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 1.8848 0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3036 1.5776 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4059 -2.3323 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0536 -2.2600 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2800 -1.6370 2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7369 -1.6055 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6909 -0.7404 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2783 0.1198 -1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8253 0.0906 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1915 -0.7250 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6587 -0.6749 1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9836 0.1951 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8985 1.0398 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4622 0.9912 -2.6792 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