2-(cyclohex-1-en-1-yl)cyclohexan-1-ol

• ChemBase ID: 120376
• Molecular Formular: C12H20O
• Molecular Mass: 180.2866
• Monoisotopic Mass: 180.15141526
• SMILES: C1(=CCCCC1)C1C(O)CCCC1
• Canonical SMILES: OC1CCCCC1C1=CCCCC1
• InChI: InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11-13H,1-5,7-9H2
• InChIKey: AWDPUMYRKBQMIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohex-1-en-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: 2-(cyclohex-1-en-1-yl)cyclohexan-1-ol
• Synonyms: [1,1'-bi(cyclohexan)]-1'-en-2-ol

Database IDs

• PubChem SID: 162214729
• PubChem CID: 2771870

CALCULATED PROPERTIES

• Acid pKa: 19.12313
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8416545
• LogD (pH = 7.4): 2.8416548
• Log P: 2.8416548
• Molar Refractivity: 55.7475 cm^3
• Polarizability: 21.764091 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true