(1R)-1-cyclohexylethan-1-ol

• ChemBase ID: 281764
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: C1([C@H](O)C)CCCCC1
• Canonical SMILES: C[C@H](C1CCCCC1)O
• InChI: InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3/t7-/m1/s1
• InChIKey: JMSUNAQVHOHLMX-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-cyclohexylethan-1-ol
• IUPAC Traditional name: (1R)-1-cyclohexylethanol
• Synonyms: (1R)-1-cyclohexylethan-1-ol

Database IDs

• MDL Number: MFCD14705945
• PubChem SID: 180667295
• PubChem CID: 10290808

CALCULATED PROPERTIES

• Acid pKa: 18.462717
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0122812
• LogD (pH = 7.4): 2.0122812
• Log P: 2.0122812
• Molar Refractivity: 38.4251 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.195

Product Information

• Purity: 95%