Structure Database (LMSD)

O O
Common Name
gamma-nonanolide
Systematic Name
Dihydro-5-pentylfuran-2(3H)-one
Synonyms
LM ID
LMFA07040021
Formula
C9H16O2
Exact Mass
Calculate m/z
156.11503
Sum Composition
FA 9:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

String Representations

InChiKey (Click to copy)
OALYTRUKMRCXNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
SMILES (Click to copy)
C1CC(CCCCC)OC1=O

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0031531
PubChem CID
7710

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 166.84
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.56
Molar Refractivity 43.77

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Created at
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Updated at
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