Structure Database (LMSD)

Common Name
Cucujolide IX
Systematic Name
3Z,6Z-Dodecadien-12-olide
Synonyms
LM ID
LMFA07040037
Status
Active
Exact Mass
Calculate m/z
194.13068
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)
IDCDKEUBOYQTFY-NGNAIVRQSA-N
InChi (Click to copy)
InChI=1S/C12H18O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-2,6,8H,3-5,7,9-11H2/b2-1-,8-6-
SMILES (Click to copy)
C1(OCCCCCC=CCC=CC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryzaephilus surinamensis (#41112)
Insecta (#50557)
RETURN TO ISSUEPREVARTICLENEXT Macrolide aggregation pheromones in Oryzaephilus surinamensis and O. mercator (Coleoptera:Cucujidae),
J Agric Food Chem, 1985

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 213.46
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.28
Molar Refractivity 57.43

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Created at
-
Updated at
5th Apr 2022