Structure database (LMSD)

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LM IDLMFA07040012
Common Name4-heptanolide
Systematic NameDihydro-5-propylfuran-2(3H)-one
Synonyms-
Exact Mass
128.0837 (neutral)    Calculate m/z:
FormulaC7H12O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 7:1
PubChem CID7742
HMDB IDHMDB0031681
CHEBI ID89744
InChIKeyVLSVVMPLPMNWBH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
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SMILES
O1C(CCC)CCC1=O
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms9Rings1Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
132.24Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP1.78Molar
Refractivity
34.53