Structure Database (LMSD)
Common Name
(R)-4-Dehydropantoate
Systematic Name
2-hydroxy-3,3-dimethyl-4-oxo-butanoic acid
Synonyms
- C01053
- AC1L978Q
- AKOS006384757
- 2-hydroxy-3,3-dimethyl-4-oxobutanoic acid
3D model of (R)-4-Dehydropantoate
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)
HVMPYIKTQSOMHA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)
SMILES (Click to copy)
OC(C(=O)O)C(C=O)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
142.24
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
-0.06
Molar Refractivity
34.00
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Created at
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Updated at
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