Structure Database (LMSD)

Common Name
2-Nonenoic acid gamma-lactone
Systematic Name
2-nonen-4-olide
Synonyms
LM ID
LMFA07040020
Formula
C9H14O2
Exact Mass
Calculate m/z
154.09938
Sum Composition
FA 9:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Danainae (#127218)
Insecta (#50557)
Specific mixtures of secretions from male scent organs of African milkweed butterflies (Danainae),
Phil Trans Royal Soc B, 1993

String Representations

InChiKey (Click to copy)
MXZSZHJBUODOJK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3
SMILES (Click to copy)
C1(OC(CCCCC)C=C1)=O

Other Databases

HMDB ID
HMDB0032442
CHEBI ID
180440
PubChem CID
89559

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 164.20
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.33
Molar Refractivity 43.67

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Created at
-
Updated at
9th Apr 2025