copper(2+) ion bis(octadec-9-enoate)

• ChemBase ID: 106718
• Molecular Formular: C36H66CuO4
• Molecular Mass: 626.45284
• Monoisotopic Mass: 625.42570809
• SMILES: [Cu+2].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[Cu+2]
• InChI: InChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: SVOAENZIOKPANY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(octadec-9-enoate)
• IUPAC Traditional name: copper(2+) bis(9-octadecenoate)
• Synonyms: CUPRIC OLEATE

Database IDs

• CAS Number: 1120-44-1
• EC Number: 214-307-4
• PubChem SID: 162087314
• PubChem CID: 6538327

CALCULATED PROPERTIES

• Acid pKa: 4.9881673
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.155865
• LogD (pH = 7.4): 4.4022083
• Log P: 6.783798
• Molar Refractivity: 98.2393 cm^3
• Polarizability: 34.058086 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• Risk Statements: R:58-36/37/38
• Safety Statements: S:20-25-26-37/39-61