Structure database (LMSD)
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  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]
AbbrevFA 8:0
LIPIDBANK IDDFA0008
PubChem CID379
KEGG IDC06423
HMDB IDHMDB0000482
CHEBI ID28837
PlantFA ID10017
SWISSLIPIDS IDSLM:000000853
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
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SMILES
CCCCCCCC(=O)O
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MS SpectraView MoNA MS spectra     
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