Structure Database (LMSD)

Common Name
SFE 12:0/4:1(2E)
Systematic Name
dodecyl 2E-butenoate
Synonyms
  • WE(12:0/4:1(2E))
LM ID
LMFA07010515
Formula
C16H30O2
Exact Mass
Calculate m/z
254.224581
Sum Composition
WE 16:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cylas puncticollis (#1550038)
Insecta (#50557)
Specificity of Response to Sex Pheromones Among Sweetpotato Weevils, Cylas puncticollis and C. brunneus,
J Chem Ecol, 1999

String Representations

InChiKey (Click to copy)
PJJDTHSONOWIIH-LNKIKWGQSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,14H,3,5-13,15H2,1-2H3/b14-4+
SMILES (Click to copy)
O=C(/C=C/C)OCCCCCCCCCCCC

Other Databases

CHEBI ID
179797
PubChem CID
5462914

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.31
Molar Refractivity 78.11

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Created at
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Updated at
9th Apr 2025