1,3-diiodo-2,2-bis(iodomethyl)propane

• ChemBase ID: 110981
• Molecular Formular: C5H8I4
• Molecular Mass: 575.7349
• Monoisotopic Mass: 575.68049226
• SMILES: ICC(CI)(CI)CI
• Canonical SMILES: ICC(CI)(CI)CI
• InChI: InChI=1S/C5H8I4/c6-1-5(2-7,3-8)4-9/h1-4H2
• InChIKey: HPMGSGCDKVCZHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diiodo-2,2-bis(iodomethyl)propane
• IUPAC Traditional name: 1,3-diiodo-2,2-bis(iodomethyl)propane
• Synonyms: PENTAERYTHRITOL TETRAIODIDE

Database IDs

• CAS Number: 1522-88-9
• PubChem SID: 162096999
• PubChem CID: 73707

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.142873
• LogD (pH = 7.4): 5.142873
• Log P: 5.142873
• Molar Refractivity: 76.8605 cm^3
• Polarizability: 31.35704 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: TY1100000

DETAILS

MP Biomedicals - 05217309

MP Biomedicals Rare Chemical collection