Structure Database (LMSD)
Common Name
Methyl 5-methylhexanoate
Systematic Name
methyl 5-methylhexanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Methyl 5-methylhexanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VMHVFMBDCWCBHO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3
SMILES (Click to copy)
CC(CCCC(OC)=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
161.90
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.99
Molar Refractivity
40.70
Admin
Created at
-
Updated at
6th Jun 2022