Structure database (LMSD)

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LM IDLMFA07040008
Common Nameγ-valerolactone
Systematic NameDihydro-5-methylfuran-2(3H)-one
Synonyms-
Exact Mass
100.0524 (neutral)    Calculate m/z:
FormulaC5H8O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 5:1
PubChem CID7921
HMDB IDHMDB0033840
CHEBI ID48569
CAYMAN ID28240
InChIKeyGAEKPEKOJKCEMS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
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SMILES
C1(OC(C)CC1)=O
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms7Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
97.64Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP1.00Molar
Refractivity
25.30