Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000569
Common NameDocosane
Systematic NameDocosane
Synonyms-
Exact Mass
310.3600 (neutral)    Calculate m/z:
FormulaC22H46
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID12405
HMDB IDHMDB0061865
InChIKeyHOWGUJZVBDQJKV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H
2,1-2H3
SMILESCCCCCCCCCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
389.16Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.83Molar
Refractivity
103.69