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
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