Structure Database (LMSD)

Common Name
SFE 12:2(8E,10Z)/2:0
Systematic Name
8E,10Z-Dodecadienyl acetate
Synonyms
LM ID
LMFA07010240
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
SFE 14:2
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cydia latiferreana (#691567)
Insecta (#50557)
Filbertworm sex pheromone : Identification and field tests of (E,E)- and (E,Z)-8,10-dodecadien-1-ol acetates.,
J Chem Ecol, 1984
Pubmed ID: 24318228

String Representations

InChiKey (Click to copy)
NTKDSWPSEFZZOZ-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3/b4-3-,6-5+
SMILES (Click to copy)
O(C(=O)C)CCCCCCC/C=C/C=C\C

Other Databases

CHEBI ID
196033
PubChem CID
1747817

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 260.42
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.31
Molar Refractivity 68.78

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Created at
-
Updated at
28th May 2025