Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000568
Common NameDecane
Systematic NameDecane
Synonyms-
Exact Mass
142.1721 (neutral)    Calculate m/z:
FormulaC10H22
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID15600
HMDB IDHMDB0031450
InChIKeyDIOQZVSQGTUSAI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
SMILESCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
181.56Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.15Molar
Refractivity
48.28