Structure Database (LMSD)
Common Name
hydroxy-isocaproic acid
Systematic Name
2S-hydroxy-4-methyl-pentanoic acid
Synonyms
3D model of hydroxy-isocaproic acid
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)
LVRFTAZAXQPQHI-YFKPBYRVSA-N
InChi (Click to copy)
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
SMILES (Click to copy)
C(=O)(O)[C@@H](O)CC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
136.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.76
Molar Refractivity
33.61
Admin
Created at
-
Updated at
-