cyclopent-2-en-1-ol

• ChemBase ID: 238958
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: C1=CCCC1O
• Canonical SMILES: OC1CCC=C1
• InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2
• InChIKey: PSBABBDEUFNFKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-2-en-1-ol
• IUPAC Traditional name: cyclopent-2-en-1-ol
• Synonyms: cyclopent-2-en-1-ol

Database IDs

• MDL Number: MFCD00027375
• PubChem SID: 164294868
• PubChem CID: 220164

CALCULATED PROPERTIES

• Acid pKa: 17.222572
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.63011056
• LogD (pH = 7.4): 0.6301106
• Log P: 0.6301106
• Molar Refractivity: 25.6371 cm^3
• Polarizability: 9.586957 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.424

Product Information

• Purity: 95%