$l^{2}-lead(2+) ion dioctanoate

• ChemBase ID: 110482
• Molecular Formular: C16H30O4Pb
• Molecular Mass: 493.607
• Monoisotopic Mass: 494.19106144
• SMILES: [Pb+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Pb+2]
• InChI: InChI=1S/2C8H16O2.Pb/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
• InChIKey: YMQPOZUUTMLSEK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion dioctanoate
• IUPAC Traditional name: $l^{2}-lead(2+) ion dioctanoate
• Synonyms: LEAD OCTOATE

Database IDs

• CAS Number: 7319-86-0
• EC Number: 230-784-1
• PubChem SID: 162095811
• PubChem CID: 6432674

CALCULATED PROPERTIES

• Acid pKa: 5.192975
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2191668
• LogD (pH = 7.4): 0.510514
• Log P: 2.7000334
• Molar Refractivity: 51.1127 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• Risk Statements: R:20/22-33-50/53-61-62
• Safety Statements: S:45-53-60-61

DETAILS

MP Biomedicals - 05215204

MP Biomedicals Rare Chemical collection