Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050029
Common Name2-hydroxy capric acid
Systematic Name2-hydroxy-decanoic acid
Synonyms-
Exact Mass
188.1412 (neutral)    Calculate m/z:
FormulaC10H20O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
LIPIDBANK IDDFA0295
PubChem CID21488
HMDB IDHMDB0094656
CAYMAN ID22678
InChIKeyGHPVDCPCKSNJDR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
SMILESC(CCCCCCC)C(O)C(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
205.29Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP2.47Molar
Refractivity
52.15