2,5-dichloro-2,5-dimethylhexane

• ChemBase ID: 167061
• Molecular Formular: C8H16Cl2
• Molecular Mass: 183.11864
• Monoisotopic Mass: 182.06290587
• SMILES: ClC(CCC(Cl)(C)C)(C)C
• Canonical SMILES: CC(CCC(Cl)(C)C)(Cl)C
• InChI: InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
• InChIKey: HSTAGCWQAIXJQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-2,5-dimethylhexane
• IUPAC Traditional name: 2,5-dichloro-2,5-dimethylhexane
• Synonyms: 2,5-Dimethyl-2,5-dichlorohexane; NSC 408418; 2,5-Dichloro-2,5-dimethylhexane

Database IDs

• CAS Number: 6223-78-5
• PubChem SID: 162261194
• PubChem CID: 80360

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4721305
• LogD (pH = 7.4): 3.4721305
• Log P: 3.4721305
• Molar Refractivity: 48.2796 cm^3
• Polarizability: 19.112616 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Diethyl Ether; Ethyl Acetate
• Apperance: White Solid

Product Information

• Purity: 98%