Structure Database (LMSD)
Common Name
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
Systematic Name
3-methyl-2-[(3-methylbutanoyl)oxy]butanoic acid
Synonyms
LM ID
LMFA07011009
Formula
Exact Mass
Calculate m/z
202.12051
Sum Composition
Status
Active
3D model of R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
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)
SOJFCTIYHPWXGZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)
SMILES (Click to copy)
O=C(C(C(C)C)OC(CC(C)C)=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
211.44
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
1.97
Molar Refractivity
52.32
Admin
Created at
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Updated at
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