Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000100
Common Name2-Methylpropan-1-ol
Systematic Name2-Methylpropan-1-ol
Synonyms-
Exact Mass
74.0732 (neutral)    Calculate m/z:
FormulaC4H10O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID6560
HMDB IDHMDB0006006
InChIKeyZXEKIIBDNHEJCQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
SMILESOCC(C)C
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms5Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
86.55Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP0.92Molar
Refractivity
22.41