1-cyclohexyl-2-(propan-2-yl)benzene

• ChemBase ID: 109938
• Molecular Formular: C15H22
• Molecular Mass: 202.33518
• Monoisotopic Mass: 202.1721507
• SMILES: CC(C)c1ccccc1C1CCCCC1
• Canonical SMILES: CC(c1ccccc1C1CCCCC1)C
• InChI: InChI=1S/C15H22/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3
• InChIKey: UOLAMFQXDMTVDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-2-(propan-2-yl)benzene
• IUPAC Traditional name: 1-cyclohexyl-2-isopropylbenzene
• Synonyms: CYCLOHEXYLCUMENE TECHNICAL GRADE (MIX o,m,p)

Database IDs

• CAS Number: 4501-40-0
• PubChem SID: 162096410
• PubChem CID: 244010

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3332443
• LogD (pH = 7.4): 5.3332443
• Log P: 5.3332443
• Molar Refractivity: 66.4404 cm^3
• Polarizability: 26.102913 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Grade: TECHNICAL

DETAILS

MP Biomedicals - 05213083

MP Biomedicals Rare Chemical collection