Structure Database (LMSD)
Common Name
Methyl hexanoate
Systematic Name
Methyl hexanoate
Synonyms
- WE(1:0/6:0)
3D model of Methyl hexanoate
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)
NUKZAGXMHTUAFE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
SMILES (Click to copy)
O=C(CCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
144.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.74
Molar Refractivity
36.16
Admin
Created at
-
Updated at
6th Jun 2022