Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000014
Common Name2-hydroxy-Heptan-3-one
Systematic Name2-hydroxy-Heptan-3-one
Synonyms-
Exact Mass
130.0994 (neutral)    Calculate m/z:
FormulaC7H14O2
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID12524095
InChIKeyKTKQJWVLAMSBTM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C7H14O2/c1-3-4-5-7(9)6(2)8/h6,8H,3-5H2,1-2H3
SMILESCC(O)C(=O)CCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
144.60Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.41Molar
Refractivity
36.72