Structure Database (LMSD)
Common Name
Methyl 4-methylpentanoate
Systematic Name
methyl 4-methylpentanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Methyl 4-methylpentanoate
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)
KBCOVKHULBZKNY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
SMILES (Click to copy)
O=C(OC)CCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
144.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.60
Molar Refractivity
36.09
Admin
Created at
-
Updated at
6th Jun 2022