4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 281254
• Molecular Formular: C6H11IO2
• Molecular Mass: 242.05481
• Monoisotopic Mass: 241.98037759
• SMILES: C1(OC(CO1)CI)(C)C
• Canonical SMILES: ICC1COC(O1)(C)C
• InChI: InChI=1S/C6H11IO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
• InChIKey: BBKBPYFNBFEICG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
• Synonyms: 4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane

Database IDs

• CAS Number: 4351-11-5
• MDL Number: MFCD09833340
• PubChem SID: 180666785
• PubChem CID: 11139278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.677868
• LogD (pH = 7.4): 1.677868
• Log P: 1.677868
• Molar Refractivity: 44.1603 cm^3
• Polarizability: 17.645042 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.202

Product Information

• Purity: 95%