2-(3,5-dimethylcyclohexyl)ethan-1-ol

• ChemBase ID: 237100
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: C1(CC(CC(C1)CCO)C)C
• Canonical SMILES: OCCC1CC(C)CC(C1)C
• InChI: InChI=1S/C10H20O/c1-8-5-9(2)7-10(6-8)3-4-11/h8-11H,3-7H2,1-2H3
• InChIKey: ZUXMVGNCVAYNEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylcyclohexyl)ethan-1-ol
• IUPAC Traditional name: 2-(3,5-dimethylcyclohexyl)ethanol
• Synonyms: 2-(3,5-dimethylcyclohexyl)ethan-1-ol

Database IDs

• MDL Number: MFCD20405089
• PubChem SID: 164293010
• PubChem CID: 64728736

CALCULATED PROPERTIES

• Acid pKa: 17.086613
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5363593
• LogD (pH = 7.4): 2.5363593
• Log P: 2.5363593
• Molar Refractivity: 47.7815 cm^3
• Polarizability: 19.046404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.453

Product Information

• Purity: 95%