Structure database (LMSD)

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LM IDLMFA11000007
Common Namehexane (W)
Systematic Namehexane
Synonymsn-Hexane
Exact Mass
86.1095 (neutral)    Calculate m/z:
FormulaC6H14
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID8058
KEGG IDC11271
HMDB IDHMDB0029600
InChIKeyVLKZOEOYAKHREP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
SMILESCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
112.36Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP2.59Molar
Refractivity
29.82