Structure Database (LMSD)
Common Name
(+/-)-Ethyl 2-hydroxy-2-methylbutyrate
Systematic Name
ethyl 2-hydroxy-2-methylbutanoate
Synonyms
3D model of (+/-)-Ethyl 2-hydroxy-2-methylbutyrate
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)
KIYWRWLZHQZKKD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3
SMILES (Click to copy)
O=C(C(CC)(C)O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
153.39
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.28
Molar Refractivity
38.55
Admin
Created at
-
Updated at
6th Jun 2022