(2R)-3,3-dimethylbutan-2-ol

• ChemBase ID: 281767
• Molecular Formular: C6H14O
• Molecular Mass: 102.17476
• Monoisotopic Mass: 102.10446507
• SMILES: C([C@H](O)C)(C)(C)C
• Canonical SMILES: C[C@H](C(C)(C)C)O
• InChI: InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3/t5-/m1/s1
• InChIKey: DFOXKPDFWGNLJU-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-3,3-dimethylbutan-2-ol
• IUPAC Traditional name: (2R)-3,3-dimethylbutan-2-ol
• Synonyms: (2R)-3,3-dimethylbutan-2-ol

Database IDs

• MDL Number: MFCD08702982
• PubChem SID: 180667298
• PubChem CID: 6992799

CALCULATED PROPERTIES

• Acid pKa: 18.701508
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5203019
• LogD (pH = 7.4): 1.5203019
• Log P: 1.5203019
• Molar Refractivity: 30.8224 cm^3
• Polarizability: 12.4019375 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.401

Product Information

• Purity: 95%