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

• ChemBase ID: 303872
• Molecular Formular: C20H34CuO4
• Molecular Mass: 402.02756
• Monoisotopic Mass: 401.17530707
• SMILES: C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Cu+2]
• Canonical SMILES: [O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1.[Cu+2]
• InChI: InChI=1S/2C10H18O2.Cu/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: FGUOYHAMMRMUQO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(4-cyclohexylbutanoate)
• IUPAC Traditional name: copper(2+) ion bis(4-cyclohexylbutanoate)
• Synonyms: Cyclohexanebutyric acid copper(II) salt; 4-Cyclohexylbutyric acid copper(II) salt; Copper(II) cyclohexanebutyrate, AAS; 环己烷丁酸铜(II)盐, AAS

Database IDs

• CAS Number: 2218-80-6
• EC Number: 218-723-7
• MDL Number: MFCD00036399

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

Physical Property

• Apperance: Powder
• Melting Point: 126°C dec.

Safety Information

• TSCA Listed: 是

Product Information

• Purity: Cu 15.8%