Structure Database (LMSD)

Common Name
SFE 14:2(3E,5Z)/2:0
Systematic Name
3E,5Z-Tetradecadienyl acetate
Synonyms
LM ID
LMFA07010299
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
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
Bonagota (#688894)
Insecta (#50557)
Identification of a four-component sex pheromone blend in Bonagota cranaodes (Lepidoptera: Tortricidae).,
J Econ Entomol, 2001
Pubmed ID: 11561851

String Representations

InChiKey (Click to copy)
XXIIMWWMOJXDLK-JPYSRSMKSA-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/h10-13H,3-9,14-15H2,1-2H3/b11-10-,13-12+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/C=C\CCCCCCCC

Other Databases

CHEBI ID
196083
PubChem CID
13245320

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

Admin

Created at
-
Updated at
18th Feb 2025