Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000117
Common NameHexan-1-ol (W)
Systematic NameHexan-1-ol
Synonyms-
Exact Mass
102.1045 (neutral)    Calculate m/z:
FormulaC6H14O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID8103
HMDB IDHMDB0012971
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
SMILESOCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
121.15Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP1.84Molar
Refractivity
31.72