Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050389
Common Name2-hydroxy-2-methyl-butyric acid
Systematic Name2-hydroxy-2-methyl-butanoic acid
Synonyms-
Exact Mass
118.0630 (neutral)    Calculate m/z:
FormulaC5H10O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
Alternative ClassesBranched fatty acids[FA0102]
PubChem CID95433
HMDB IDHMDB0001987
InChIKeyMBIQENSCDNJOIY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
SMILESC(=O)(O)C(O)(C)CC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
118.79Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP0.52Molar
Refractivity
29.06