Structure Database (LMSD)

Common Name
WE 8:1(2E)/4:1(2E)(2Me)
Systematic Name
(E)-2-Octenyl 2-methyl-(E)-2-butenoate
Synonyms
  • WE(8:1(2E)/4:1(2E)(2Me))
LM ID
LMFA07010604
Formula
C13H22O2
Exact Mass
Calculate m/z
210.16198
Sum Composition
WE 13:2
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]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pachylis laticornis (#2868028)
Insecta (#50557)
Volatile male-specific natural products of a coreid bug (Hemiptera: Heteroptera).,
J Chem Ecol, 1982
Pubmed ID: 24414831

String Representations

InChiKey (Click to copy)
GBGKUFKLQQVVGD-AHPNURPESA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5,9-10H,4,6-8,11H2,1-3H3/b10-9+,12-5+
SMILES (Click to copy)
O=C(/C(/C)=C/C)OC/C=C/CCCCC

Other Databases

PubChem CID
5367738

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 243.12
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.92
Molar Refractivity 64.16

Admin

Created at
-
Updated at
20th Jan 2025