1-methoxynonane

• ChemBase ID: 89806
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: O(CCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCOC
• InChI: InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10-11-2/h3-10H2,1-2H3
• InChIKey: BRIKTKRHROTQFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxynonane
• IUPAC Traditional name: 1-methoxynonane
• Synonyms: 1-Methoxynonane

Database IDs

• MDL Number: MFCD00726618
• PubChem SID: 162076662
• PubChem CID: 522469

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6712918
• LogD (pH = 7.4): 3.6712918
• Log P: 3.6712918
• Molar Refractivity: 49.8911 cm^3
• Polarizability: 19.858446 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true