Structure Database (LMSD)
Common Name
Methyl decanoate
Systematic Name
Methyl decanoate
Synonyms
- WE(1:0/10:0)
3D model of Methyl decanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Decanoic acid methyl ester is an ester form of decanoic acid . It has been studied as a single component biodiesel surrogate.1
This information has been provided by Cayman Chemical
References
1. Wang, W., and Oehlschlaeger, M.A. A shock tube study of methyl decanoate autoignition at elevated pressures. Combust. Flame 159(2), 476-481 (2013).
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
213.80
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.30
Molar Refractivity
54.63
Admin
Created at
-
Updated at
6th Jun 2022