Structure Database (LMSD)
Common Name
ethyl tetradecanoate
Systematic Name
ethyl tetradecanoate
Synonyms
- WE(2:0/14:0)
3D model of ethyl tetradecanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Myristic acid ethyl ester is a more hydrophobic form of the free acid. It is a marker of excessive ethanol consumption that can be isolated from the hair of an individual.1
This information has been provided by Cayman Chemical
References
1. Hartwig, S., Auwärter, V., and Pragst, F. Fatty acid ethyl esters in scalp, public, axillary, beard and body hair as markers for alcohol misuse. Alcohol Alcohol. 38(2), 163-167 (2003).
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
MMKRHZKQPFCLLS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
300.30
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.54
Molar Refractivity
78.20
Admin
Created at
-
Updated at
6th Jun 2022