Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000004
Common Namedodecane (W)
Systematic Namedodecane
Synonymsn-Dodecane
Exact Mass
170.2035 (neutral)    Calculate m/z:
FormulaC12H26
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID8182
KEGG IDC08374
HMDB IDHMDB0031444
CHEBI ID28817
InChIKeySNRUBQQJIBEYMU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
SMILESC(CCCCC)CCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
216.16Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.93Molar
Refractivity
57.52