4-(propan-2-yl)cyclohexan-1-ol

• ChemBase ID: 110116
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CC(C)C1CCC(O)CC1
• Canonical SMILES: CC(C1CCC(CC1)O)C
• InChI: InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3
• InChIKey: DKKRDMLKVSKFMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)cyclohexan-1-ol
• IUPAC Traditional name: 4-isopropylcyclohexan-1-ol
• Synonyms: 4-ISOPROPYLCYCLOHEXANOL

Database IDs

• CAS Number: 4621-04-9
• EC Number: 225-035-0
• PubChem SID: 162095566
• PubChem CID: 20739

CALCULATED PROPERTIES

• Acid pKa: 18.08251
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2993002
• LogD (pH = 7.4): 2.2993004
• Log P: 2.2993004
• Molar Refractivity: 42.9737 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: GV9620000

Product Information

• Purity: 99%