Structure Database (LMSD)

Common Name
delta-nonyl-valeralactone
Systematic Name
5-Tetradecanolide
Synonyms
  • 6-Nonyl-tetrahydropyran-2-one
LM ID
LMFA07040045
Status
Active
Exact Mass
Calculate m/z
226.19328
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)
SKQYTJLYRIFFCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
SMILES (Click to copy)
C1CCC(=O)OC1CCCCCCCCC

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ovis aries (#9940)
Mammalia (#40674)
Nonacidic constituents of volatiles from cooked mutton,
J Agric Food Chem, 1979

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 253.34
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.51
Molar Refractivity 66.85

Admin

Created at
-
Updated at
28th Jun 2021