Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030266
Common Name3E-hexadecenoic acid
Systematic Name3E-hexadecenoic acid
SynonymsC16:1n-13
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID1756
PubChem CID5312418
PlantFA ID10312
InChIKeyPCBKWKNYISJGPJ-BUHFOSPRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H
2,1H3,(H,17,18)/b14-13+
SMILESC(C/C=C/CCCCCCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
77.85