Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07040028
Common Nameδ-decalactone
Systematic NameTetrahydro-6-pentylpyran-2-one
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
PubChem CID12810
HMDB IDHMDB0037116
InChIKeyGHBSPIPJMLAMEP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
SMILESC1CC(=O)OC(CCCCC)C1
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
184.14Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.95Molar
Refractivity
48.38