1-ethoxyoctadecane

• ChemBase ID: 111955
• Molecular Formular: C20H42O
• Molecular Mass: 298.54688
• Monoisotopic Mass: 298.32356596
• SMILES: CCCCCCCCCCCCCCCCCCOCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCC
• InChI: InChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h3-20H2,1-2H3
• InChIKey: DGLWHXRTXWIDEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxyoctadecane
• IUPAC Traditional name: 1-ethoxyoctadecane
• Synonyms: OCTADECYL ETHYL ETHER

Database IDs

• PubChem SID: 162106562
• PubChem CID: 3014870

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.029218
• LogD (pH = 7.4): 8.029218
• Log P: 8.029218
• Molar Refractivity: 96.0487 cm^3
• Polarizability: 38.323956 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221942

MP Biomedicals Rare Chemical collection