2-(1-hydroxyethyl)cyclohexan-1-ol

• ChemBase ID: 112431
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: CC(O)C1CCCCC1O
• Canonical SMILES: CC(C1CCCCC1O)O
• InChI: InChI=1S/C8H16O2/c1-6(9)7-4-2-3-5-8(7)10/h6-10H,2-5H2,1H3
• InChIKey: MVYIQVQYQBTWRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-hydroxyethyl)cyclohexan-1-ol
• IUPAC Traditional name: 2-(1-hydroxyethyl)cyclohexan-1-ol
• Synonyms: 2-(α-HYDROXYETHYL)CYCLOHEXANOL

Database IDs

• CAS Number: 24337-52-8
• PubChem SID: 162097589
• PubChem CID: 141103

CALCULATED PROPERTIES

• Acid pKa: 14.70001
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.66711944
• LogD (pH = 7.4): 0.6671194
• Log P: 0.66711944
• Molar Refractivity: 39.9958 cm^3
• Polarizability: 15.977569 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223905

MP Biomedicals Rare Chemical collection