Structure Database (LMSD)

Common Name
SFE 12:1(5Z)/2:0
Systematic Name
5Z-Dodecenyl acetate
Synonyms
LM ID
LMFA07010243
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anadevidia peponis (#254367)
Insecta (#50557)
Identification of Sex Pheromones of Anadevidia peponis and Macdunnoughia confusa and Field Tests of Their Role in Reproductive Isolation of Closely Related Plusiinae Moths,
J Chem Ecol, 2000

String Representations

InChiKey (Click to copy)
FOEWNRTZASNZJY-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8-
SMILES (Click to copy)
O(C(=O)C)CCCC/C=C\CCCCCC

Other Databases

CHEBI ID
179335
PubChem CID
5363387

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
29th Oct 2024