2-iodopentane

• ChemBase ID: 110188
• Molecular Formular: C5H11I
• Molecular Mass: 198.04531
• Monoisotopic Mass: 197.99054835
• SMILES: CCCC(C)I
• Canonical SMILES: CCCC(I)C
• InChI: InChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
• InChIKey: JUPBFIYJUCWJCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodopentane
• IUPAC Traditional name: 2-iodopentane
• Synonyms: sec-AMYL IODIDE

Database IDs

• CAS Number: 637-97-8
• EC Number: 211-311-8
• PubChem SID: 162090500
• PubChem CID: 12513

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0884838
• LogD (pH = 7.4): 3.0884838
• Log P: 3.0884838
• Molar Refractivity: 37.8861 cm^3
• Polarizability: 14.955587 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true