Structure database (LMSD)

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LM IDLMFA07040016
Common Nameγ-octanolide
Systematic Name5-Butyl-dihydrofuran-2(3H)-one
Synonyms-
Exact Mass
142.0994 (neutral)    Calculate m/z:
FormulaC8H14O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 8:1
PubChem CID7704
HMDB IDHMDB0035422
CHEBI ID145738
InChIKeyIPBFYZQJXZJBFQ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
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SMILES
C1(OC(CCCC)CC1)=O
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms10Rings1Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
149.54Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.17Molar
Refractivity
39.15