1-iodo-3,3-dimethylbutane

• ChemBase ID: 810306
• Molecular Formular: C6H13I
• Molecular Mass: 212.07189
• Monoisotopic Mass: 212.00619842
• SMILES: C(CC(C)(C)C)I
• Canonical SMILES: ICCC(C)(C)C
• InChI: InChI=1S/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3
• InChIKey: KNKFLSQIGYRZAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-3,3-dimethylbutane
• IUPAC Traditional name: 1-iodo-3,3-dimethylbutane
• Synonyms: 1-IODO-3,3-DIMETHYLBUTANE

Database IDs

• CAS Number: 15672-88-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.362753
• LogD (pH = 7.4): 3.362753
• Log P: 3.362753
• Molar Refractivity: 42.4418 cm^3
• Polarizability: 16.75106 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%