(2,2-dimethylpropyl)lithium

• ChemBase ID: 128570
• Molecular Formular: C5H11Li
• Molecular Mass: 78.08184
• Monoisotopic Mass: 78.1020799
• SMILES: CC(C)(C)C[Li]
• Canonical SMILES: [Li]CC(C)(C)C
• InChI: InChI=1S/C5H11.Li/c1-5(2,3)4;/h1H2,2-4H3
• InChIKey: UWLFCNHEPBTLHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylpropyl)lithium
• IUPAC Traditional name: neopentyllithium
• Synonyms: Neopentyllithium

Database IDs

• CAS Number: 7412-67-1
• PubChem SID: 162222877
• PubChem CID: 10898631
• Wikipedia Title: Neopentyllithium

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8549
• LogD (pH = 7.4): 1.8549
• Log P: 1.8549
• Molar Refractivity: 23.7406 cm^3
• Polarizability: 11.170455 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true