4-cyclohexylcyclohexan-1-ol

• ChemBase ID: 287390
• Molecular Formular: C12H22O
• Molecular Mass: 182.30248
• Monoisotopic Mass: 182.16706532
• SMILES: OC1CCC(C2CCCCC2)CC1
• Canonical SMILES: OC1CCC(CC1)C1CCCCC1
• InChI: InChI=1S/C12H22O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-13H,1-9H2
• InChIKey: AFKMHDZOVNDWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexylcyclohexan-1-ol
• IUPAC Traditional name: 4-cyclohexylcyclohexan-1-ol
• Synonyms: [1,1'-Bi(cyclohexan)]-4-ol

Database IDs

• CAS Number: 2433-14-9
• MDL Number: MFCD00060071
• PubChem SID: 180672921
• PubChem CID: 75518

CALCULATED PROPERTIES

• Acid pKa: 18.08251
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1692803
• LogD (pH = 7.4): 3.1692805
• Log P: 3.1692805
• Molar Refractivity: 54.9745 cm^3
• Polarizability: 22.001043 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%