1,1-dichlorospiro[2.3]hexane

• ChemBase ID: 120474
• Molecular Formular: C6H8Cl2
• Molecular Mass: 151.03372
• Monoisotopic Mass: 150.00030562
• SMILES: C1(C2(C1)CCC2)(Cl)Cl
• Canonical SMILES: ClC1(Cl)CC21CCC2
• InChI: InChI=1S/C6H8Cl2/c7-6(8)4-5(6)2-1-3-5/h1-4H2
• InChIKey: QXGJRKIAUUUNJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichlorospiro[2.3]hexane
• IUPAC Traditional name: 1,1-dichlorospiro[2.3]hexane
• Synonyms: 1,1-dichlorospiro[2.3]hexane

Database IDs

• PubChem SID: 162214827
• PubChem CID: 945931

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6399345
• LogD (pH = 7.4): 2.6399345
• Log P: 2.6399345
• Molar Refractivity: 35.7939 cm^3
• Polarizability: 14.038119 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true