1-iodo-2-methylpropan-2-ol

• ChemBase ID: 241848
• Molecular Formular: C4H9IO
• Molecular Mass: 200.01813
• Monoisotopic Mass: 199.96981291
• SMILES: C(O)(CI)(C)C
• Canonical SMILES: ICC(O)(C)C
• InChI: InChI=1S/C4H9IO/c1-4(2,6)3-5/h6H,3H2,1-2H3
• InChIKey: UOQIHMBZKSCLPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-2-methylpropan-2-ol
• IUPAC Traditional name: 1-iodo-2-methylpropan-2-ol
• Synonyms: 1-iodo-2-methylpropan-2-ol

Database IDs

• MDL Number: MFCD20415065
• PubChem SID: 164297758
• PubChem CID: 547895

CALCULATED PROPERTIES

• Acid pKa: 14.575134
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.30293
• LogD (pH = 7.4): 1.30293
• Log P: 1.30293
• Molar Refractivity: 35.0478 cm^3
• Polarizability: 13.902378 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.066

Product Information

• Purity: 95%