5-methoxypentan-1-ol

• ChemBase ID: 279039
• Molecular Formular: C6H14O2
• Molecular Mass: 118.17416
• Monoisotopic Mass: 118.09937969
• SMILES: OCCCCCOC
• Canonical SMILES: OCCCCCOC
• InChI: InChI=1S/C6H14O2/c1-8-6-4-2-3-5-7/h7H,2-6H2,1H3
• InChIKey: OMNKOGMRWWOOFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypentan-1-ol
• IUPAC Traditional name: 5-methoxypentan-1-ol
• Synonyms: 5-methoxypentan-1-ol

Database IDs

• MDL Number: MFCD00046025
• PubChem SID: 164334949
• PubChem CID: 20931

CALCULATED PROPERTIES

• Acid pKa: 16.843893
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4563385
• LogD (pH = 7.4): 0.4563385
• Log P: 0.4563385
• Molar Refractivity: 33.4158 cm^3
• Polarizability: 13.096364 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.081

Product Information

• Purity: 95%