cadmium(2+) ion dioctadecanoate

• ChemBase ID: 109831
• Molecular Formular: C36H70CdO4
• Molecular Mass: 679.3496
• Monoisotopic Mass: 680.43076872
• SMILES: [Cd+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cd+2]
• InChI: InChI=1S/2C18H36O2.Cd/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: GWOWVOYJLHSRJJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion dioctadecanoate
• IUPAC Traditional name: cadmium(2+) bis(formula 300); cadmium(2+) ion bis(n-octadecanoate)
• Synonyms: CADMIUM STEARATE; Cadmium distearate; Cadmium(II) stearate; Cadmium(II) dioctadecanoate

Database IDs

• CAS Number: 2223-93-0
• EC Number: 218-743-6
• PubChem SID: 162095549
• PubChem CID: 16681
• Chemspider ID: 15818
• Wikipedia Title: Cadmium_stearate

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

Physical Property

• Apperance: White powder
• Melting Point: 134°C

Safety Information

• RTECS: RG1050000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:20/21/22-50/53
• Safety Statements: R; S:60-61
• NFPA704:
  

  0

  4

  0

  0

DETAILS

MP Biomedicals - 05212739

MP Biomedicals Rare Chemical collection