tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate

• ChemBase ID: 83438
• Molecular Formular: C10H16Cl2O2
• Molecular Mass: 239.13884
• Monoisotopic Mass: 238.05273511
• SMILES: O(C(=O)C1C(C1(C)C)(Cl)Cl)C(C)(C)C
• Canonical SMILES: O=C(C1C(C1(C)C)(Cl)Cl)OC(C)(C)C
• InChI: InChI=1S/C10H16Cl2O2/c1-8(2,3)14-7(13)6-9(4,5)10(6,11)12/h6H,1-5H3
• InChIKey: LNEFGAYKTMMXDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
• Synonyms: tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate

Database IDs

• MDL Number: MFCD00101195
• PubChem SID: 162070556
• PubChem CID: 2780298

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4662988
• LogD (pH = 7.4): 3.4662988
• Log P: 3.4662988
• Molar Refractivity: 57.5453 cm^3
• Polarizability: 22.926464 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true