1,3-dibromo-2,2-dimethylpropane

• ChemBase ID: 279052
• Molecular Formular: C5H10Br2
• Molecular Mass: 229.9409
• Monoisotopic Mass: 227.91492432
• SMILES: C(CBr)(CBr)(C)C
• Canonical SMILES: BrCC(CBr)(C)C
• InChI: InChI=1S/C5H10Br2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
• InChIKey: UXAFLFGXSIWWMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-2,2-dimethylpropane
• IUPAC Traditional name: 1,3-dibromo-2,2-dimethylpropane
• Synonyms: 1,3-dibromo-2,2-dimethylpropane

Database IDs

• MDL Number: MFCD00039189
• PubChem SID: 164334962
• PubChem CID: 79491

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.90313
• LogD (pH = 7.4): 2.90313
• Log P: 2.90313
• Molar Refractivity: 40.2473 cm^3
• Polarizability: 15.681589 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.785

Product Information

• Purity: 95%