Structure Database (LMSD)
Common Name
Ethyl 2-ethylbutanoate
Systematic Name
ethyl 2-ethylbutanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
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
Main
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
References
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