1-methoxyoctane

• ChemBase ID: 89204
• Molecular Formular: C9H20O
• Molecular Mass: 144.2545
• Monoisotopic Mass: 144.15141526
• SMILES: O(CCCCCCCC)C
• Canonical SMILES: CCCCCCCCOC
• InChI: InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
• InChIKey: RIAWWRJHTAZJSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxyoctane
• IUPAC Traditional name: 1-methoxyoctane
• Synonyms: 1-Methoxyoctane

Database IDs

• CAS Number: 929-56-6
• MDL Number: MFCD01366363
• PubChem SID: 162076087
• PubChem CID: 70247

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2267232
• LogD (pH = 7.4): 3.2267232
• Log P: 3.2267232
• Molar Refractivity: 45.2901 cm^3
• Polarizability: 18.012423 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true