1,1,2-trimethylcyclopropane

• ChemBase ID: 112776
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CC1CC1(C)C
• Canonical SMILES: CC1CC1(C)C
• InChI: InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3
• InChIKey: BXIIJPAVISPOGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trimethylcyclopropane
• IUPAC Traditional name: cyclopropane, 1,1,2-trimethyl-
• Synonyms: 1,1,2-TRIMETHYL CYCLOPROPANE

Database IDs

• CAS Number: 4127-45-1
• PubChem SID: 162098263
• PubChem CID: 138125

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2077913
• LogD (pH = 7.4): 2.2077913
• Log P: 2.2077913
• Molar Refractivity: 27.3753 cm^3
• Polarizability: 11.082252 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:9-16-29

DETAILS

MP Biomedicals - 05225773

MP Biomedicals Rare Chemical collection