(1R,6S)-7,7-dichloro-4-(2,2-dichloro-1-methylcyclopropyl)-1-methylbicyclo[4.1.0]heptane

• ChemBase ID: 185554
• Molecular Formular: C12H16Cl4
• Molecular Mass: 302.06744
• Monoisotopic Mass: 300.00061123
• SMILES: C1([C@]2([C@@H]1CC(C1(C(C1)(Cl)Cl)C)CC2)C)(Cl)Cl
• Canonical SMILES: CC1(CC1(Cl)Cl)C1CC[C@@]2([C@H](C1)C2(Cl)Cl)C
• InChI: InChI=1S/C12H16Cl4/c1-9-4-3-7(5-8(9)12(9,15)16)10(2)6-11(10,13)14/h7-8H,3-6H2,1-2H3/t7?,8-,9+,10?/m0/s1
• InChIKey: XGSTZJHXRIKMCD-APTHBXDWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,6S)-7,7-dichloro-4-(2,2-dichloro-1-methylcyclopropyl)-1-methylbicyclo[4.1.0]heptane
• IUPAC Traditional name: (1R,6S)-7,7-dichloro-4-(2,2-dichloro-1-methylcyclopropyl)-1-methylbicyclo[4.1.0]heptane

Database IDs

• PubChem SID: 164241464
• PubChem CID: 16396333

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1570745
• LogD (pH = 7.4): 5.1570745
• Log P: 5.1570745
• Molar Refractivity: 71.3508 cm^3
• Polarizability: 28.076403 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds