Structure Database (LMSD)

Common Name
2,6Z-Nonadien-4-olide
Systematic Name
2,6Z-Nonadien-4-olide
Synonyms
LM ID
LMFA07040019
Formula
C9H12O2
Exact Mass
Calculate m/z
152.08373
Sum Composition
FA 9:3
Status
Active
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

String Representations

InChiKey (Click to copy)
LBJZIOKZMWWEQD-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,6-8H,2,5H2,1H3/b4-3-
SMILES (Click to copy)
C1(OC(C/C=C\CC)C=C1)=O

Other Databases

CHEBI ID
165619
PubChem CID
56936041

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 161.56
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.11
Molar Refractivity 43.58

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Created at
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Updated at
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