Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000109
Common NameButan-1-ol (W)
Systematic NameButan-1-ol
Synonyms-
Exact Mass
74.0732 (neutral)    Calculate m/z:
FormulaC4H10O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID263
HMDB IDHMDB0004327
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILESOCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms5Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
86.55Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP1.06Molar
Refractivity
22.48