copper(2+) ion bis(undec-2-enoate)

• ChemBase ID: 111742
• Molecular Formular: C22H38CuO4
• Molecular Mass: 430.08072
• Monoisotopic Mass: 429.2066072
• SMILES: [Cu+2].CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-]
• Canonical SMILES: CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-].[Cu+2]
• InChI: InChI=1S/2C11H20O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2
• InChIKey: BKACVSPFRDCXGK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(undec-2-enoate)
• IUPAC Traditional name: copper(2+) bis(undec-2-enoate)
• Synonyms: COPPER UNDECYLENATE

Database IDs

• CAS Number: 1328-71-8
• PubChem SID: 162098149
• PubChem CID: 71299794

CALCULATED PROPERTIES

• Acid pKa: 5.0255046
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4318533
• LogD (pH = 7.4): 1.6846169
• Log P: 4.031563
• Molar Refractivity: 66.009 cm^3
• Polarizability: 21.147709 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220686

MP Biomedicals Rare Chemical collection