2-iodo-2-methylbutane

• ChemBase ID: 110189
• Molecular Formular: C5H11I
• Molecular Mass: 198.04531
• Monoisotopic Mass: 197.99054835
• SMILES: CCC(C)(C)I
• Canonical SMILES: CCC(I)(C)C
• InChI: InChI=1S/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3
• InChIKey: NWRZTQFWFPLHHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-2-methylbutane
• IUPAC Traditional name: butane, 2-iodo-2-methyl-
• Synonyms: tert-AMYL IODIDE

Database IDs

• CAS Number: 594-38-7
• PubChem SID: 162095752
• PubChem CID: 11665

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.820714
• LogD (pH = 7.4): 2.820714
• Log P: 2.820714
• Molar Refractivity: 37.9725 cm^3
• Polarizability: 14.958002 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214061

MP Biomedicals Rare Chemical collection