[1-(prop-2-yn-1-yl)cyclobutyl]methanol

• ChemBase ID: 243459
• Molecular Formular: C8H12O
• Molecular Mass: 124.18028
• Monoisotopic Mass: 124.088815
• SMILES: C(#C)CC1(CO)CCC1
• Canonical SMILES: OCC1(CCC1)CC#C
• InChI: InChI=1S/C8H12O/c1-2-4-8(7-9)5-3-6-8/h1,9H,3-7H2
• InChIKey: HURPPLVIYXNRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(prop-2-yn-1-yl)cyclobutyl]methanol
• IUPAC Traditional name: [1-(prop-2-yn-1-yl)cyclobutyl]methanol
• Synonyms: [1-(prop-2-yn-1-yl)cyclobutyl]methanol

Database IDs

• MDL Number: MFCD23143993
• PubChem SID: 164299369
• PubChem CID: 71757256

CALCULATED PROPERTIES

• Acid pKa: 18.03641
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1665523
• LogD (pH = 7.4): 1.1665523
• Log P: 1.1665523
• Molar Refractivity: 36.866 cm^3
• Polarizability: 14.256625 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.137

Product Information

• Purity: 95%