dipotassium hexanedioate

• ChemBase ID: 129046
• Molecular Formular: C6H8K2O4
• Molecular Mass: 222.32192
• Monoisotopic Mass: 221.9696721
• SMILES: C(CCC(=O)[O-])CC(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]C(=O)CCCCC(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
• InChIKey: GCHCGDFZHOEXMP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium hexanedioate
• IUPAC Traditional name: dipotassium adipate
• Synonyms: Potassium adipate

Database IDs

• CAS Number: 19147-16-1
• PubChem SID: 162223347
• PubChem CID: 9794493
• Wikipedia Title: Potassium_adipate

CALCULATED PROPERTIES

• Acid pKa: 3.9174685
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9542978
• LogD (pH = 7.4): -5.3871665
• Log P: 0.49065435
• Molar Refractivity: 54.4132 cm^3
• Polarizability: 12.73627 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true