tin(4+) ion bis(2-ethylhexanoate) bis(propan-2-olate)

• ChemBase ID: 303302
• Molecular Formular: C22H44O6Sn
• Molecular Mass: 523.28216
• Monoisotopic Mass: 524.21598313
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)[O-].CC(C)[O-].[Sn+4]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[Sn+4]
• InChI: InChI=1S/2C8H16O2.2C3H7O.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3(2)4;/h2*7H,3-6H2,1-2H3,(H,9,10);2*3H,1-2H3;/q;;2*-1;+4/p-2
• InChIKey: RGWFMRJCMRMYPK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: tin(4+) ion bis(2-ethylhexanoate) bis(propan-2-olate)
• IUPAC Traditional name: tin(4+) ion bis(2-ethylhexanoate) bis(propan-2-olate)
• Synonyms: Tin(IV) 2-ethylhexano-isopropoxide; Tin(IV) 2-ethylhexanoate diisopropoxide; 2-乙基己酸二异丙醇锡(IV)

Database IDs

• CAS Number: 288374-32-3
• MDL Number: MFCD00210604

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: X
• Risk Statements: 36/38-63
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H361-H315-H319
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 98% (metals basis)