1-(octadecyloxy)octadecane

• ChemBase ID: 109225
• Molecular Formular: C36H74O
• Molecular Mass: 522.97216
• Monoisotopic Mass: 522.57396699
• SMILES: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• InChIKey: HBXWUCXDUUJDRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(octadecyloxy)octadecane
• IUPAC Traditional name: 1-(octadecyloxy)octadecane
• Synonyms: DIOCTADECYL ETHER

Database IDs

• CAS Number: 6297-03-6
• PubChem SID: 162096105
• PubChem CID: 80526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 15.22027
• LogD (pH = 7.4): 15.22027
• Log P: 15.22027
• Molar Refractivity: 169.58769 cm^3
• Polarizability: 67.87426 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210269

MP Biomedicals Rare Chemical collection