Structure Database (LMSD)
Common Name
3-oxo-4-methyl-pentanoic acid
Systematic Name
3-oxo-4-methyl-pentanoic acid
Synonyms
3D model of 3-oxo-4-methyl-pentanoic 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)
ZXLSKTZECNUVIS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C(=O)(C(C)C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
133.45
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.69
Molar Refractivity
32.10
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Created at
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Updated at
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