(4Z)-cyclooct-4-en-1-ol

• ChemBase ID: 289776
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: OC1CCC=CCCC1
• Canonical SMILES: OC1CCCC=CCC1
• InChI: InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2/b2-1-
• InChIKey: UCPDHOTYYDHPEN-UPHRSURJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-cyclooct-4-en-1-ol
• IUPAC Traditional name: (4Z)-cyclooct-4-en-1-ol
• Synonyms: Cyclooct-4-enol

Database IDs

• CAS Number: 4277-34-3
• MDL Number: MFCD06252442
• PubChem SID: 180675307
• PubChem CID: 5381510

CALCULATED PROPERTIES

• Acid pKa: 18.565662
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8079091
• LogD (pH = 7.4): 1.8079091
• Log P: 1.8079091
• Molar Refractivity: 39.5941 cm^3
• Polarizability: 15.119015 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%