1-methylcyclobutan-1-ol

• ChemBase ID: 278147
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: C1(O)(CCC1)C
• Canonical SMILES: CC1(O)CCC1
• InChI: InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3
• InChIKey: DQWVUKFABWSFJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclobutan-1-ol
• IUPAC Traditional name: 1-methylcyclobutan-1-ol
• Synonyms: 1-methylcyclobutan-1-ol

Database IDs

• MDL Number: MFCD01218890
• PubChem SID: 164334057
• PubChem CID: 140642

CALCULATED PROPERTIES

• Acid pKa: 18.122818
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.67213273
• LogD (pH = 7.4): 0.6721328
• Log P: 0.6721328
• Molar Refractivity: 24.7117 cm^3
• Polarizability: 9.8283 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.668

Product Information

• Purity: 95%