Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000577
Common NameHexadecane
Systematic NameHexadecane
Synonyms-
Exact Mass
226.2661 (neutral)    Calculate m/z:
FormulaC16H34
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID11006
HMDB IDHMDB0033792
InChIKeyDCAYPVUWAIABOU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
SMILESCCCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms16Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
285.36Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.49Molar
Refractivity
75.99