Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000023
Common Name3-Methyl-3E-decen-2-one
Systematic Name3-Methyl-3E-decen-2-one
Synonyms-
Exact Mass
168.1514 (neutral)    Calculate m/z:
FormulaC11H20O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID5363306
InChIKeyFKAXTVXZKQJKBJ-MDZDMXLPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10(2)11(3)12/h9H,4-8H2,1-3H3/b10-9+
SMILESCC(=O)/C(/C)=C/CCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
202.37Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.49Molar
Refractivity
53.20