8-methoxyoctan-1-ol

• ChemBase ID: 173083
• Molecular Formular: C9H20O2
• Molecular Mass: 160.2539
• Monoisotopic Mass: 160.14632988
• SMILES: C(CCCCCCCO)OC
• Canonical SMILES: COCCCCCCCCO
• InChI: InChI=1S/C9H20O2/c1-11-9-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3
• InChIKey: MWOSHTQWZMBEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyoctan-1-ol
• IUPAC Traditional name: 8-methoxyoctan-1-ol
• Synonyms: 8-Methoxyoctan-1-ol; 8-Methoxyoctanol; 8-Methoxy-1-octanol

Database IDs

• CAS Number: 51308-90-8
• PubChem SID: 164228993
• PubChem CID: 13180895

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7900444
• LogD (pH = 7.4): 1.7900445
• Log P: 1.7900445
• Molar Refractivity: 47.2188 cm^3
• Polarizability: 18.615873 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true