Structure Database (LMSD)
Common Name
Ethyl 2-ethylhexanoate
Systematic Name
ethyl 2-ethylhexanoate
Synonyms
3D model of Ethyl 2-ethylhexanoate
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)
YXAGIRHBJJLWHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
SMILES (Click to copy)
O=C(C(CC)CCCC)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
196.50
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.05
Molar Refractivity
50.43
Admin
Created at
-
Updated at
6th Jun 2022