4-(cyclohex-1-en-1-yl)butan-1-ol

• ChemBase ID: 83493
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: OCCCCC1=CCCCC1
• Canonical SMILES: OCCCCC1=CCCCC1
• InChI: InChI=1S/C10H18O/c11-9-5-4-8-10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
• InChIKey: NVXOIBBZTHELSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclohex-1-en-1-yl)butan-1-ol
• IUPAC Traditional name: 4-(cyclohex-1-en-1-yl)butan-1-ol
• Synonyms: 4-cyclohex-1-enylbutan-1-ol

Database IDs

• MDL Number: MFCD00101823
• PubChem SID: 162070611
• PubChem CID: 2780392

CALCULATED PROPERTIES

• Acid pKa: 16.918646
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.445879
• LogD (pH = 7.4): 2.445879
• Log P: 2.445879
• Molar Refractivity: 48.7363 cm^3
• Polarizability: 18.809866 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true