(4-butylcyclohexyl)methanol

• ChemBase ID: 260515
• Molecular Formular: C11H22O
• Molecular Mass: 170.29178
• Monoisotopic Mass: 170.16706532
• SMILES: C1CC(CCC1CCCC)CO
• Canonical SMILES: CCCCC1CCC(CC1)CO
• InChI: InChI=1S/C11H22O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h10-12H,2-9H2,1H3
• InChIKey: DEHXEFKZGADDMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-butylcyclohexyl)methanol
• IUPAC Traditional name: (4-butylcyclohexyl)methanol
• Synonyms: (4-butylcyclohexyl)methanol

Database IDs

• MDL Number: MFCD11646255
• PubChem SID: 164316425
• PubChem CID: 15085161

CALCULATED PROPERTIES

• Acid pKa: 17.643053
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2164314
• LogD (pH = 7.4): 3.2164314
• Log P: 3.2164314
• Molar Refractivity: 52.3579 cm^3
• Polarizability: 20.891735 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.992

Product Information

• Purity: 95%