2-cyclobutylideneethan-1-ol

• ChemBase ID: 247874
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: C1(=CCO)CCC1
• Canonical SMILES: OCC=C1CCC1
• InChI: InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h4,7H,1-3,5H2
• InChIKey: YVSRXFSCVATFPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutylideneethan-1-ol
• IUPAC Traditional name: 2-cyclobutylideneethanol
• Synonyms: 2-cyclobutylideneethan-1-ol

Database IDs

• PubChem SID: 164303784
• PubChem CID: 15401759

CALCULATED PROPERTIES

• Acid pKa: 16.277073
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8235118
• LogD (pH = 7.4): 0.8235118
• Log P: 0.8235118
• Molar Refractivity: 30.1783 cm^3
• Polarizability: 11.43008 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.013

Product Information

• Purity: 95%