1-(ethenyloxy)hexadecane

• ChemBase ID: 112000
• Molecular Formular: C18H36O
• Molecular Mass: 268.47784
• Monoisotopic Mass: 268.27661577
• SMILES: CCCCCCCCCCCCCCCCOC=C
• Canonical SMILES: CCCCCCCCCCCCCCCCOC=C
• InChI: InChI=1S/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h4H,2-3,5-18H2,1H3
• InChIKey: UKDKWYQGLUUPBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)hexadecane
• IUPAC Traditional name: hexadecane, 1-(ethenyloxy)-
• Synonyms: VINYL HEXADECYL ETHER

Database IDs

• CAS Number: 822-28-6
• PubChem SID: 162096821
• PubChem CID: 69971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.2879467
• LogD (pH = 7.4): 7.2879467
• Log P: 7.2879467
• Molar Refractivity: 85.7903 cm^3
• Polarizability: 34.39768 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05222129

MP Biomedicals Rare Chemical collection