Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000575
Common NameHeptane
Systematic NameHeptane
Synonyms-
Exact Mass
100.1252 (neutral)    Calculate m/z:
FormulaC7H16
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID8900
HMDB IDHMDB0031447
InChIKeyIMNFDUFMRHMDMM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
SMILESCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
129.66Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP2.98Molar
Refractivity
34.43