2-cyclobutylpropan-2-ol

• ChemBase ID: 111072
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: CC(C)(O)C1CCC1
• Canonical SMILES: CC(C1CCC1)(O)C
• InChI: InChI=1S/C7H14O/c1-7(2,8)6-4-3-5-6/h6,8H,3-5H2,1-2H3
• InChIKey: XVOCZBPSPXMFPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutylpropan-2-ol
• IUPAC Traditional name: 2-cyclobutylpropan-2-ol
• Synonyms: 2-CYCLOBUTYL-2-PROPANOL

Database IDs

• PubChem SID: 162106518
• PubChem CID: 547749

CALCULATED PROPERTIES

• Acid pKa: 19.036692
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4037205
• LogD (pH = 7.4): 1.4037206
• Log P: 1.4037206
• Molar Refractivity: 33.8613 cm^3
• Polarizability: 13.512976 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217614

MP Biomedicals Rare Chemical collection