copper(2+) ion dioctadecanoate

• ChemBase ID: 109630
• Molecular Formular: C36H70CuO4
• Molecular Mass: 630.4846
• Monoisotopic Mass: 629.45700822
• SMILES: [Cu+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2]
• InChI: InChI=1S/2C18H36O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: PEVZEFCZINKUCG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion dioctadecanoate
• IUPAC Traditional name: copper(2+) bis(formula 300); copper(2+) ion bis(n-octadecanoate)
• Synonyms: Copper(II) Stearate; Cupric Stearate; COPPER STEARATE; Copper(II) stearate

Database IDs

• CAS Number: 660-60-6
• MDL Number: MFCD00050714
• PubChem SID: 162095236
• PubChem CID: 93553

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• Molar Refractivity: 97.1227 cm^3
• Polarizability: 34.295197 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%