Structure Database (LMSD)
Common Name
Ethyl butyrate
Systematic Name
ethyl butanoate
Synonyms
3D model of Ethyl butyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
OBNCKNCVKJNDBV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
SMILES (Click to copy)
CCCC(OCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
127.30
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.63
Molar Refractivity
32.03
Admin
Created at
-
Updated at
6th Jun 2022