Basic information
- CAS
29650-96-2- Standard SMILES
CC(C)(C)C(=O)[O-]- InChIKey
IUGYQRQAERSCNH-UHFFFAOYSA-M- Molecular formula
- C5H9O2-
- Average molar mass
- 101.12 g/mol
- Monoisotopic mass
- 101.06080311
Overview
Pivalate is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of pivalic acid. It is a conjugate base of a pivalic acid.
Names & identifiers
- Preferred name
- Pivalate
- IUPAC
- 2,2-dimethylpropanoate
Names & synonyms
Pivalate2,2-dimethylpropanoateCHEBI:63894RefChem:1096357neopentanoatetert-ButylformatetrimethylacetatePivalate anion2,2-dimethylpropionatealpha,alpha-dimethylpropanoatealpha,alpha-dimethylpropionate1,1-dimethylethyl carboxylate
Show more names
IUGYQRQAERSCNH-UHFFFAOYSA-MDTXSID201317238Q2713289929650-96-2
Database identifiers
- CAS
29650-96-2- PubChem CID
- 6919101
- DTXSID
DTXSID201317238- ChEMBL
CHEMBL322719- ChEBI
CHEBI:63894- Nikkaji
- J886.768B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- -1
- Complexity
- 73.1
Related reactions
6 records
Compound notes
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