Structure Database (LMSD)

Common Name
WE 8:0(7Me)/8:0
Systematic Name
7-Methyloctyl octanoate
Synonyms
  • WE(8:0(7Me)/8:0)
LM ID
LMFA07010602
Formula
C17H34O2
Exact Mass
Calculate m/z
270.255881
Sum Composition
WE 17:0
Status
Curated
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]
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
Pubmed ID: 17929095

String Representations

InChiKey (Click to copy)
LSIDHXSWCFFFGE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-4-5-6-7-11-14-17(18)19-15-12-9-8-10-13-16(2)3/h16H,4-15H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCC)OCCCCCCC(C)C

Other Databases

CHEBI ID
179965
PubChem CID
49854244

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.78
Molar Refractivity 82.75

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Created at
-
Updated at
21st Jan 2025