(2,2-dimethylcyclopropyl)benzene

• ChemBase ID: 295682
• Molecular Formular: C11H14
• Molecular Mass: 146.22886
• Monoisotopic Mass: 146.10955045
• SMILES: CC1(CC1c1ccccc1)C
• Canonical SMILES: CC1(C)CC1c1ccccc1
• InChI: InChI=1S/C11H14/c1-11(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
• InChIKey: CPCCZGGBKTXNOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylcyclopropyl)benzene
• IUPAC Traditional name: (2,2-dimethylcyclopropyl)benzene
• Synonyms: 1,1-Dimethyl-2-phenylcyclopropane; 1-Phenyl-2,2-dimethylcyclopropane; 2,2-Dimethylcyclopropylbenzene; 1-苯基-2,2-二甲基环丙烷

Database IDs

• CAS Number: 7653-94-3
• MDL Number: MFCD01632131
• PubChem SID: 180681213
• PubChem CID: 11008060

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3415952
• LogD (pH = 7.4): 3.3415952
• Log P: 3.3415952
• Molar Refractivity: 47.4703 cm^3
• Polarizability: 18.798784 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67-69°C/10mm
• Refractive Index: 1.5070

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%