Structure Database (LMSD)
Common Name
1-Methyl-2-oxopropyl butyrate
Systematic Name
3-oxobutan-2-yl butanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1-Methyl-2-oxopropyl butyrate
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)
LJDWJXUIGKSETE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
SMILES (Click to copy)
O=C(C(C)OC(=O)CCC)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
168.05
Topological Polar Surface Area
43.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
1.59
Molar Refractivity
41.65
Admin
Created at
-
Updated at
6th Jun 2022