Structure Database (LMSD)
Common Name
15-oxo-11Z,13E-eicosadienoic acid
Systematic Name
15-oxo-11Z,13E-eicosadienoic acid
Synonyms
- 15-OxoEDE
3D model of 15-oxo-11Z,13E-eicosadienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QZCMHXPXGACWLJ-QWAPPMFBSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
SMILES (Click to copy)
C(/C=C\C=C\C(=O)CCCCC)CCCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
370.37
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.84
Molar Refractivity
96.62
Admin
Created at
-
Updated at
6th Feb 2024