2-cyclopropylpropan-2-ol

• ChemBase ID: 270680
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: C1(CC1)C(O)(C)C
• Canonical SMILES: CC(C1CC1)(O)C
• InChI: InChI=1S/C6H12O/c1-6(2,7)5-3-4-5/h5,7H,3-4H2,1-2H3
• InChIKey: ITQVACMQJLOIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpropan-2-ol
• IUPAC Traditional name: 2-cyclopropylpropan-2-ol
• Synonyms: 2-cyclopropylpropan-2-ol

Database IDs

• MDL Number: MFCD00019247
• PubChem SID: 164326590
• PubChem CID: 301459

CALCULATED PROPERTIES

• Acid pKa: 18.80476
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9591518
• LogD (pH = 7.4): 0.9591519
• Log P: 0.9591519
• Molar Refractivity: 29.2603 cm^3
• Polarizability: 11.669966 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.917

Product Information

• Purity: 95%