Structure Database (LMSD)

Common Name
SFE 12:2(7Z,9E):2:0
Systematic Name
7Z,9E-Dodecadienyl acetate
Synonyms
  • SFE(12:2(7Z,9E):2:0)
LM ID
LMFA07010252
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]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Idaea aversata (#104447)
Insecta (#50557)
Olefinic acetates, Δ-9,11-14: OAc and Δ-7,9-12: OAc used as sex pheromone components in three geometrid moths,Idaea aversata, I. straminata, andI. biselata (Geometridae, Lepidoptera).,
J Chem Ecol, 1996
Pubmed ID: 24226252

String Representations

InChiKey (Click to copy)
LLRZUAWETKPZJO-DEQVHDEQSA-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
196039
PubChem CID
6437401

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
7th Jul 2023