Structure Database (LMSD)

Common Name
SFE 12:1(3Z)/4:1(2E)
Systematic Name
(Z)-3-Dodecenyl (E)-2-butenoate
Synonyms
  • WE(12:1(3Z)/4:1(2E))
LM ID
LMFA07010533
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cylas formicarius (#197179)
Insecta (#50557)
Identification of sex pheromone produced by female sweetpotato weevil,Cylas formicarius elegantulus (Summers).,
J Chem Ecol, 1986
Pubmed ID: 24307127

String Representations

InChiKey (Click to copy)
VPVYOJQBLAZGEP-DVRGKXNHSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11-,14-4+
SMILES (Click to copy)
O=C(/C=C/C)OCC/C=C\CCCCCCCC

Other Databases

CHEBI ID
196063
PubChem CID
9813716
Cayman ID
19787

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.09
Molar Refractivity 78.01

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Created at
-
Updated at
20th Jan 2025