cyclopent-3-en-1-ol

• ChemBase ID: 293550
• Molecular Formular: C5H8O
• Molecular Mass: 84.11642
• Monoisotopic Mass: 84.05751488
• SMILES: OC1CC=CC1
• Canonical SMILES: OC1CC=CC1
• InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2
• InChIKey: WEIMJSIRDZDHAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-3-en-1-ol
• IUPAC Traditional name: cyclopent-3-en-1-ol
• Synonyms: Cyclopent-3-enol

Database IDs

• CAS Number: 14320-38-8
• MDL Number: MFCD09749829
• PubChem SID: 180679081
• PubChem CID: 281478

CALCULATED PROPERTIES

• Acid pKa: 17.788418
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4742031
• LogD (pH = 7.4): 0.47420314
• Log P: 0.47420314
• Molar Refractivity: 25.7911 cm^3
• Polarizability: 9.586957 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%