2-cyclohexylpropan-2-ol

• ChemBase ID: 282695
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: C(C1CCCCC1)(O)(C)C
• Canonical SMILES: CC(C1CCCCC1)(O)C
• InChI: InChI=1S/C9H18O/c1-9(2,10)8-6-4-3-5-7-8/h8,10H,3-7H2,1-2H3
• InChIKey: SSZWOQANOUHNLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylpropan-2-ol
• IUPAC Traditional name: 2-cyclohexylpropan-2-ol
• Synonyms: 2-cyclohexylpropan-2-ol

Database IDs

• MDL Number: MFCD11502454
• PubChem SID: 180668226
• PubChem CID: 85531

CALCULATED PROPERTIES

• Acid pKa: 19.294868
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2928576
• LogD (pH = 7.4): 2.292858
• Log P: 2.292858
• Molar Refractivity: 43.0633 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): 2.594

Product Information

• Purity: 95%