Structure Database (LMSD)

O O
Common Name
Cucujolide VIII
Systematic Name
3Z-Dodecen-12-olide
Synonyms
LM ID
LMFA07040035
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
FA 12:2
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
IWDWUDBQBAHLLF-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h6,8H,1-5,7,9-11H2/b8-6-
SMILES (Click to copy)
C1(OCCCCCCCCC=CC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cryptolestes pusillus (#1173686)
Insecta (#50557)
Aggregation pheromones of the flat grain beetle,Cryptolestes pusillus (Coleoptera: Cucujidae).,
J Chem Ecol, 1985
Pubmed ID: 24310330

Other Databases

PubChem CID
11019790

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 216.10
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.50
Molar Refractivity 57.52

Admin

Created at
-
Updated at
5th Apr 2022