Structure Database (LMSD)

Common Name
SFE 12:2(3E,5Z)/2:0
Systematic Name
3E,5Z-Dodecadienyl acetate
Synonyms
LM ID
LMFA07010236
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
Phtheochroa (#688925)
Insecta (#50557)
Identification and synthesis of the sex pheromone of Phtheochroa cranaodes(Lepidoptera: Tortricidae),
Tetrahedron Letts, 1996

String Representations

InChiKey (Click to copy)
ZKUWHODMAHRIFM-QNRZBPGKSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h8-11H,3-7,12-13H2,1-2H3/b9-8-,11-10+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/C=C\CCCCCC

Other Databases

CHEBI ID
184552
PubChem CID
10911208

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

Admin

Created at
-
Updated at
5th Mar 2025