Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000112
Common NamePentan-1-ol (W)
Systematic NamePentan-1-ol
Synonyms-
Exact Mass
88.0888 (neutral)    Calculate m/z:
FormulaC5H12O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID6276
HMDB IDHMDB0013036
InChIKeyAMQJEAYHLZJPGS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
SMILESOCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms6Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
103.85Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP1.45Molar
Refractivity
27.10