Structure Database (LMSD)

Common Name
WE 8:0(7Me)/10:1(4Z)
Systematic Name
7-Methyloctyl (Z)-4-decenoate
Synonyms
  • WE(8:0(7Me)/10:1(4Z))
LM ID
LMFA07010599
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
WE 19:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Elater ferrugineus (#1368505)
Insecta (#50557)
Sex Pheromone of Elater ferrugineus L. (Coleoptera: Elateridae),
J Chem Ecol, 2007

String Representations

InChiKey (Click to copy)
QQVJZGWWRQZVQB-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-4-5-6-7-8-9-13-16-19(20)21-17-14-11-10-12-15-18(2)3/h8-9,18H,4-7,10-17H2,1-3H3/b9-8-
SMILES (Click to copy)
O=C(CC/C=C\CCCCC)OCCCCCCC(C)C

Other Databases

CHEBI ID
196570
PubChem CID
56936008

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.34
Molar Refractivity 91.89

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Created at
-
Updated at
29th Nov 2024