Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01010008
Common NameCaprylic acid (W)
Systematic Nameoctanoic acid
SynonymsOctylic acid; C8:0
Exact Mass
144.1150 (neutral)    Calculate m/z:
FormulaC8H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassStraight chain fatty acids [FA0101]
LIPIDBANK IDDFA0008
PubChem Compound ID (CID)379
KEGG IDC06423
HMDB IDHMDB00482
CHEBI ID28837
PlantFA ID10017
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
SMILESCCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
161.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.43Molar
Refractivity
41.01