Structure Database (LMSD)

Common Name
SFE 12:2(7Z,9Z)/2:0
Systematic Name
7Z,9Z-Dodecadienyl acetate
Synonyms
LM ID
LMFA07010256
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
SFE 14:2
Status
Active
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
Epinotia tedella (#1100986)
Insecta (#50557)
(Z,Z)-7,9-Dodecadienyl acetate, sex pheromone ofEpinotia tedella clerck (Lepidoptera: Tortricidae).,
J Chem Ecol, 1989
Pubmed ID: 24271542

String Representations

InChiKey (Click to copy)
LLRZUAWETKPZJO-RZSVFLSASA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4-,7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C\C=C/CC

Other Databases

CHEBI ID
196037
PubChem CID
5365702

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
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Updated at
19th Dec 2024