Structure Database (LMSD)

Common Name
SFE 14:2(10E,12E)/2:0
Systematic Name
10E,12E-Tetradecadienyl acetate
Synonyms
  • SFE(14:2(10E,12E)/2:0)
LM ID
LMFA07010294
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
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
Amorbia cuneana (#533182)
Insecta (#50557)
Sex pheromone of the avocado pest,Amorbia cuneana (Walsingham) (Lepidoptera: Tortricidae) : Structure and synthesis.,
J Chem Ecol, 1982
Pubmed ID: 24414600

String Representations

InChiKey (Click to copy)
BJAQMNWCYXNBJY-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-6H,7-15H2,1-2H3/b4-3+,6-5+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCC/C=C/C=C/C

Other Databases

CHEBI ID
196084
PubChem CID
5363514

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.09
Molar Refractivity 78.01

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Created at
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Updated at
27th Jul 2023