Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000583
Common NamePentane
Systematic NamePentane
Synonyms-
Exact Mass
72.0939 (neutral)    Calculate m/z:
FormulaC5H12
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID8003
HMDB IDHMDB0029603
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
SMILESCCCCC
MS Spectra-     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms5Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
95.06Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP2.20Molar
Refractivity
25.20