Structure Database (LMSD)
Common Name
(+/-)-Ethyl 2-hydroxy-3-methylvalerate
Systematic Name
ethyl 2-hydroxy-3-methylpentanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (+/-)-Ethyl 2-hydroxy-3-methylvalerate
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)
TXLBCYISDOYPIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3
SMILES (Click to copy)
CC(C(C(OCC)=O)O)CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
170.69
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.53
Molar Refractivity
43.10
Admin
Created at
-
Updated at
6th Jun 2022