Structure Database (LMSD)
Common Name
4-Hydroxyvalproic acid
Systematic Name
4-hydroxy-2-propylpentanoic acid
Synonyms
3D model of 4-Hydroxyvalproic 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)
OASKNPCLIHUTTL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O3/c1-3-4-7(8(10)11)5-6(2)9/h6-7,9H,3-5H2,1-2H3,(H,10,11)
SMILES (Click to copy)
CC(O)CC(C(=O)O)CCC
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
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
1.54
Molar Refractivity
42.84
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Created at
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Updated at
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