Structure Database (LMSD)
Common Name
Ethyl 2-ethylbutanoate
Systematic Name
ethyl 2-ethylbutanoate
Synonyms
3D model of Ethyl 2-ethylbutanoate
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)
MJGSLNIPTRPYJV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
SMILES (Click to copy)
O=C(OCC)C(CC)CC
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
2.27
Molar Refractivity
41.20
Admin
Created at
-
Updated at
6th Jun 2022