2-(2-iodoethoxy)-2-methylpropane

• ChemBase ID: 247295
• Molecular Formular: C6H13IO
• Molecular Mass: 228.07129
• Monoisotopic Mass: 228.00111304
• SMILES: C(OCCI)(C)(C)C
• Canonical SMILES: ICCOC(C)(C)C
• InChI: InChI=1S/C6H13IO/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3
• InChIKey: DBMGRFIVRJOFCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-iodoethoxy)-2-methylpropane
• IUPAC Traditional name: 2-(2-iodoethoxy)-2-methylpropane
• Synonyms: 2-(2-iodoethoxy)-2-methylpropane

Database IDs

• PubChem SID: 164303205
• PubChem CID: 11107093

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3028646
• LogD (pH = 7.4): 2.3028646
• Log P: 2.3028646
• Molar Refractivity: 44.5476 cm^3
• Polarizability: 17.534052 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.171

Product Information

• Purity: 95%