Structure Database (LMSD)
Common Name
Pivalic acid
Systematic Name
2,2-dimethyl-propanoic acid
Synonyms
3D model of Pivalic 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)
IUGYQRQAERSCNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
SMILES (Click to copy)
C(C)(C)(C)C(=O)O
Other Databases
Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA7041
PubChem CID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
110.00
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.12
Molar Refractivity
27.09
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Created at
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Updated at
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