2,2-dichloro-3,3-dimethylbutane

• ChemBase ID: 109141
• Molecular Formular: C6H12Cl2
• Molecular Mass: 155.06548
• Monoisotopic Mass: 154.03160574
• SMILES: CC(C)(C)C(C)(Cl)Cl
• Canonical SMILES: CC(C(C)(C)C)(Cl)Cl
• InChI: InChI=1S/C6H12Cl2/c1-5(2,3)6(4,7)8/h1-4H3
• InChIKey: QMQRQQASVUFJGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dichloro-3,3-dimethylbutane
• IUPAC Traditional name: 2,2-dichloro-3,3-dimethylbutane
• Synonyms: 2,2-DICHLORO-3,3-DIMETHYLBUTANE

Database IDs

• CAS Number: 594-84-3
• PubChem SID: 162096232
• PubChem CID: 241493

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3750818
• LogD (pH = 7.4): 3.3750818
• Log P: 3.3750818
• Molar Refractivity: 39.5305 cm^3
• Polarizability: 15.457477 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209973

MP Biomedicals Rare Chemical collection