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

• ChemBase ID: 283903
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: C1(C(O)CCCC1)C(C)C
• Canonical SMILES: CC(C1CCCCC1O)C
• InChI: InChI=1S/C9H18O/c1-7(2)8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3
• InChIKey: IXVGVVQGNQZQGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00072217
• PubChem SID: 180669434
• PubChem CID: 95331

CALCULATED PROPERTIES

• Acid pKa: 19.25419
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.377254
• LogD (pH = 7.4): 2.377254
• Log P: 2.377254
• Molar Refractivity: 42.8967 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.714

Product Information

• Purity: 95%