Structure Database (LMSD)

Common Name
SFE 12:1(4E)/2:0
Systematic Name
4E-Dodecenyl acetate
Synonyms
  • SFE(12:1(4E)/2:0)
LM ID
LMFA07010224
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
SFE 14:1
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
A mono-unsaturated acetate as sex attractant for the leaf miner moth Lithocolletis corylifoliella (Hübner) (Lep., Gracillariidae),
J Appl Entomol, 1991

String Representations

InChiKey (Click to copy)
HVFBMRUBJRAFIN-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h9-10H,3-8,11-13H2,1-2H3/b10-9+
SMILES (Click to copy)
O(C(=O)C)CCC/C=C/CCCCCCC

Other Databases

CHEBI ID
179340
PubChem CID
5352885

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.53
Molar Refractivity 68.87

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Created at
-
Updated at
15th Aug 2023