Structure database (LMSD)

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LM IDLMFA01050229
Common Name7-hydroxy-octanoic acid
Systematic Name7-hydroxy-octanoic acid
Synonyms-
Exact Mass
160.1099 (neutral)    Calculate m/z:
FormulaC8H16O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDAT ID4882
PubChem CID167627
HMDB IDHMDB0000486
InChIKeyOFCMTSZRXXFMBQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
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SMILES
C(CCCCCC(O)C)(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
170.69Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP1.69Molar
Refractivity
42.91