cobalt(2+) ion bis(4-cyclohexylbutanoate)

• ChemBase ID: 111696
• Molecular Formular: C20H34CoO4
• Molecular Mass: 397.41476
• Monoisotopic Mass: 397.17890457
• SMILES: [Co+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
• Canonical SMILES: [O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1.[Co+2]
• InChI: InChI=1S/2C10H18O2.Co/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
• InChIKey: YBXHPSXGXLGNBR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(2+) ion bis(4-cyclohexylbutanoate)
• IUPAC Traditional name: cobalt(2+) bis(4-cyclohexylbutanoate)
• Synonyms: COBALT CYCLOHEXANEBUTYRATE

Database IDs

• CAS Number: 38582-17-1
• EC Number: 254-015-4
• PubChem SID: 162096739
• PubChem CID: 161971

CALCULATED PROPERTIES

• Acid pKa: 5.0541363
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3894231
• LogD (pH = 7.4): 0.6476406
• Log P: 2.9678953
• Molar Refractivity: 58.4601 cm^3
• Polarizability: 18.819902 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:40-42/43-68
• Safety Statements: S:22-29-36/37/39-46-53

DETAILS

MP Biomedicals - 05220435

MP Biomedicals Rare Chemical collection