1-iodo-3-methoxypropane

• ChemBase ID: 797965
• Molecular Formular: C4H9IO
• Molecular Mass: 200.01813
• Monoisotopic Mass: 199.96981291
• SMILES: C(CCOC)I
• Canonical SMILES: COCCCI
• InChI: InChI=1S/C4H9IO/c1-6-4-2-3-5/h2-4H2,1H3
• InChIKey: DFNCRJSFSDJOBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-3-methoxypropane
• IUPAC Traditional name: 1-iodo-3-methoxypropane
• Synonyms: 1-Iodo-3-methoxy-propane

Database IDs

• CAS Number: 61542-10-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.464772
• LogD (pH = 7.4): 1.464772
• Log P: 1.464772
• Molar Refractivity: 35.4534 cm^3
• Polarizability: 13.961943 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%