Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000163
Common NameDodecan-2-one
Systematic NameDodecan-2-one
Synonyms-
Exact Mass
184.1827 (neutral)    Calculate m/z:
FormulaC12H24O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID22556
HMDB IDHMDB0031019
InChIKeyLSKONYYRONEBKA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
SMILESCC(=O)CCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
222.31Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.11Molar
Refractivity
57.91