Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000579
Common NameNonane
Systematic NameNonane
Synonyms-
Exact Mass
128.1565 (neutral)    Calculate m/z:
FormulaC9H20
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID8141
HMDB IDHMDB0029595
InChIKeyBKIMMITUMNQMOS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
SMILESCCCCCCCCC
MS Spectra-     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
164.26Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP3.76Molar
Refractivity
43.67