Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030102
Common Name2Z,4E-decadienoic acid
Systematic Name2Z,4E-decadienoic acid
Synonymscis-2, trans-4-decadienoic acid; C10:2n-6,8
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 10:2
LIPIDBANK IDDFA0141
PubChem CID5282780
InChIKeyYKHVVNDSWHSBPA-MUIOLIGRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8-
Click to highlight InChI
SMILES
C(=C/C=C/CCCCC)/C(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume		191.22Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP2.76Molar
Refractivity		50.06