(2-methylbutan-2-yl)cyclohexane

• ChemBase ID: 108336
• Molecular Formular: C11H22
• Molecular Mass: 154.29238
• Monoisotopic Mass: 154.1721507
• SMILES: CCC(C)(C)C1CCCCC1
• Canonical SMILES: CCC(C1CCCCC1)(C)C
• InChI: InChI=1S/C11H22/c1-4-11(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
• InChIKey: HEOYZKPYPRYIAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylbutan-2-yl)cyclohexane
• IUPAC Traditional name: (2-methylbutan-2-yl)cyclohexane
• Synonyms: tert-AMYLCYCLOHEXANE

Database IDs

• CAS Number: 31797-64-5
• PubChem SID: 162094114
• PubChem CID: 252363

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4306345
• LogD (pH = 7.4): 4.4306345
• Log P: 4.4306345
• Molar Refractivity: 50.3803 cm^3
• Polarizability: 20.317463 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206957

MP Biomedicals Rare Chemical collection