zinc(2+) ion bis(2-methylpropan-2-olate)

• ChemBase ID: 303545
• Molecular Formular: C8H18O2Zn
• Molecular Mass: 211.60732
• Monoisotopic Mass: 210.05982182
• SMILES: CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
• Canonical SMILES: [O-]C(C)(C)C.[O-]C(C)(C)C.[Zn+2]
• InChI: InChI=1S/2C4H9O.Zn/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
• InChIKey: DVGVEVPHJQJMPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(2-methylpropan-2-olate)
• IUPAC Traditional name: zinc(2+) ion bis(2-methylpropan-2-olate)
• Synonyms: Zinc tert-butoxide; 叔丁氧基锌

Database IDs

• CAS Number: 4278-43-7
• MDL Number: MFCD00145545

CALCULATED PROPERTIES

• Acid pKa: 18.086988
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53538257
• LogD (pH = 7.4): 0.53538257
• Log P: 0.53538257
• Molar Refractivity: 32.6172 cm^3
• Polarizability: 8.423538 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3181
• Hazard Class: 4.1
• Packing Group: III
• Risk Statements: 11-36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P280G-P305+P351+P338