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

• ChemBase ID: 118986
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C1(CCO)(O)CCCCC1
• Canonical SMILES: OCCC1(O)CCCCC1
• InChI: InChI=1S/C8H16O2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2
• InChIKey: YHSJEDVJYGRFHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)cyclohexan-1-ol
• IUPAC Traditional name: 1-(2-hydroxyethyl)cyclohexan-1-ol
• Synonyms: 1-(2-hydroxyethyl)cyclohexanol

Database IDs

• PubChem SID: 162107370
• PubChem CID: 275048

CALCULATED PROPERTIES

• Acid pKa: 14.68036
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5743199
• LogD (pH = 7.4): 0.5743199
• Log P: 0.5743199
• Molar Refractivity: 40.3228 cm^3
• Polarizability: 15.977569 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true