di-tert-butylzinc

• ChemBase ID: 126937
• Molecular Formular: C8H18Zn
• Molecular Mass: 179.60852
• Monoisotopic Mass: 178.06999258
• SMILES: CC(C)(C)[Zn]C(C)(C)C
• Canonical SMILES: CC([Zn]C(C)(C)C)(C)C
• InChI: InChI=1S/2C4H9.Zn/c2*1-4(2)3;/h2*1-3H3
• InChIKey: KYHHMFUFEIHUHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butylzinc
• IUPAC Traditional name: di-tert-butylzinc
• Synonyms: Di-tert-butylzinc; Di-tert-butylzinc

Database IDs

• CAS Number: 16636-96-7
• PubChem SID: 162221263
• PubChem CID: 545313
• Chemspider ID: 10750751
• Wikipedia Title: Di-tert-butylzinc

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6642
• LogD (pH = 7.4): 1.6642
• Log P: 1.6642
• Molar Refractivity: 39.0046 cm^3
• Polarizability: 18.7196 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true