1-iodo-2-methylbutane

• ChemBase ID: 247908
• Molecular Formular: C5H11I
• Molecular Mass: 198.04531
• Monoisotopic Mass: 197.99054835
• SMILES: ICC(CC)C
• Canonical SMILES: CCC(CI)C
• InChI: InChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
• InChIKey: RHBHXHXNWHTGSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-2-methylbutane
• IUPAC Traditional name: 1-iodo-2-methylbutane
• Synonyms: 1-iodo-2-methylbutane

Database IDs

• MDL Number: MFCD01321177
• PubChem SID: 164303818
• PubChem CID: 141479

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1406596
• LogD (pH = 7.4): 3.1406596
• Log P: 3.1406596
• Molar Refractivity: 37.8897 cm^3
• Polarizability: 14.953364 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.452

Product Information

• Purity: 95%