Structure Database (LMSD)

Common Name
delta-octanolide
Systematic Name
6-Propyl-tetrahydropyran-2-one
Synonyms
LM ID
LMFA07040017
Status
Active
Exact Mass
Calculate m/z
142.09938
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FYTRVXSHONWYNE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
SMILES (Click to copy)
C1CCC(CCC)OC1=O

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 149.54
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.17
Molar Refractivity 39.15

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Created at
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Updated at
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