(2,2-dibromo-1-methylcyclopropyl)methanol

• ChemBase ID: 120373
• Molecular Formular: C5H8Br2O
• Molecular Mass: 243.92442
• Monoisotopic Mass: 241.89418888
• SMILES: C1(C(C1)(Br)Br)(CO)C
• Canonical SMILES: OCC1(C)CC1(Br)Br
• InChI: InChI=1S/C5H8Br2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3
• InChIKey: PADGJMYWLXIWPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dibromo-1-methylcyclopropyl)methanol
• IUPAC Traditional name: (2,2-dibromo-1-methylcyclopropyl)methanol
• Synonyms: (2,2-dibromo-1-methylcyclopropyl)methanol

Database IDs

• PubChem SID: 162214726
• PubChem CID: 2771868

CALCULATED PROPERTIES

• Acid pKa: 15.043448
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2748438
• LogD (pH = 7.4): 1.2748438
• Log P: 1.2748438
• Molar Refractivity: 40.403 cm^3
• Polarizability: 15.79119 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true