Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07040004
Common NameDihydrofuran-2(3H)-one
Systematic NameDihydrofuran-2(3H)-one
Synonyms-
Exact Mass
86.0368 (neutral)    Calculate m/z:
FormulaC4H6O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
PubChem CID7302
HMDB IDHMDB0000549
CAYMAN ID18706
InChIKeyYEJRWHAVMIAJKC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
SMILESC1(OCCC1)=O
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms6Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
80.34Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP0.61Molar
Refractivity
20.68