3-(cyclohexyloxy)propan-1-ol

• ChemBase ID: 256387
• Molecular Formular: C9H18O2
• Molecular Mass: 158.23802
• Monoisotopic Mass: 158.13067982
• SMILES: C(CO)COC1CCCCC1
• Canonical SMILES: OCCCOC1CCCCC1
• InChI: InChI=1S/C9H18O2/c10-7-4-8-11-9-5-2-1-3-6-9/h9-10H,1-8H2
• InChIKey: JZISPFMRVBHTCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexyloxy)propan-1-ol
• IUPAC Traditional name: 3-(cyclohexyloxy)propan-1-ol
• Synonyms: 3-(cyclohexyloxy)propan-1-ol

Database IDs

• MDL Number: MFCD10686877
• PubChem SID: 164312297
• PubChem CID: 10034878

CALCULATED PROPERTIES

• Acid pKa: 15.89969
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2936777
• LogD (pH = 7.4): 1.2936777
• Log P: 1.2936777
• Molar Refractivity: 45.1844 cm^3
• Polarizability: 17.888466 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.606

Product Information

• Purity: 95%