Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07040010
Common Nameγ-caprolactone
Systematic Name5-Ethyldihydro-2(3H)-furanone
Synonyms-
Exact Mass
114.0681 (neutral)    Calculate m/z:
FormulaC6H10O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
PubChem CID12756
HMDB IDHMDB0003843
InChIKeyJBFHTYHTHYHCDJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
SMILESC1CC(CC)OC1=O
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms8Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
114.94Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP1.39Molar
Refractivity
29.92