Structure Database (LMSD)
Common Name
Methyl (S)-2-Methylbutanoate
Systematic Name
methyl 2-methylbutanoate
Synonyms
3D model of Methyl (S)-2-Methylbutanoate
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
Biological Context
String Representations
InChiKey (Click to copy)
OCWLYWIFNDCWRZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
SMILES (Click to copy)
O=C(C(C)CC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
127.30
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.21
Molar Refractivity
31.47
Admin
Created at
-
Updated at
6th Jun 2022