1,1-dichloro-2,2-dimethylpropane

• ChemBase ID: 109193
• Molecular Formular: C5H10Cl2
• Molecular Mass: 141.0389
• Monoisotopic Mass: 140.01595568
• SMILES: CC(C)(C)C(Cl)Cl
• Canonical SMILES: ClC(C(C)(C)C)Cl
• InChI: InChI=1S/C5H10Cl2/c1-5(2,3)4(6)7/h4H,1-3H3
• InChIKey: RHJLMJAWDKKWPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-2,2-dimethylpropane
• IUPAC Traditional name: 1,1-dichloro-2,2-dimethylpropane
• Synonyms: 1,1-DICHLORO-2,2-DIMETHYLPROPANE

Database IDs

• PubChem SID: 162106251
• PubChem CID: 23264313

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1270192
• LogD (pH = 7.4): 3.1270192
• Log P: 3.1270192
• Molar Refractivity: 34.5087 cm^3
• Polarizability: 13.627625 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210159

MP Biomedicals Rare Chemical collection