2,4-dimethylcyclohexan-1-ol

• ChemBase ID: 272105
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: C1(C(CCC(C1)C)O)C
• Canonical SMILES: CC1CCC(C(C1)C)O
• InChI: InChI=1S/C8H16O/c1-6-3-4-8(9)7(2)5-6/h6-9H,3-5H2,1-2H3
• InChIKey: CKPQAKDCQGMTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylcyclohexan-1-ol
• IUPAC Traditional name: 2,4-dimethylcyclohexan-1-ol
• Synonyms: 2,4-dimethylcyclohexan-1-ol

Database IDs

• MDL Number: MFCD00019328
• PubChem SID: 164328015
• PubChem CID: 98251

CALCULATED PROPERTIES

• Acid pKa: 18.656672
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9326854
• LogD (pH = 7.4): 1.9326854
• Log P: 1.9326854
• Molar Refractivity: 38.2957 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.305

Product Information

• Purity: 95%