Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000035
Common Name5-hexen-2-one
Systematic Name5-hexen-2-one
Synonyms-
Exact Mass
98.0732 (neutral)    Calculate m/z:
FormulaC6H10O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID7989
InChIKeyRNDVGJZUHCKENF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3
SMILESCC(=O)CCC=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
115.87Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP1.54Molar
Refractivity
30.11