4-iodo-3,6-dihydro-2H-pyran

• ChemBase ID: 814163
• Molecular Formular: C5H7IO
• Molecular Mass: 210.01295
• Monoisotopic Mass: 209.95416284
• SMILES: O1CCC(=CC1)I
• Canonical SMILES: IC1=CCOCC1
• InChI: InChI=1S/C5H7IO/c6-5-1-3-7-4-2-5/h1H,2-4H2
• InChIKey: KNZSUJFOLGDAQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodo-3,6-dihydro-2H-pyran
• IUPAC Traditional name: 4-iodo-3,6-dihydro-2H-pyran
• Synonyms: 4-iodo-3,6-dihydro-2H-pyran

Database IDs

• CAS Number: 1196151-18-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1018628
• LogD (pH = 7.4): 1.1018628
• Log P: 1.1018628
• Molar Refractivity: 39.5014 cm^3
• Polarizability: 14.834088 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%