2-(2,2-dicyclohexylethenyl)pyridine

• ChemBase ID: 167189
• Molecular Formular: C19H27N
• Molecular Mass: 269.42438
• Monoisotopic Mass: 269.21434987
• SMILES: C1(C(=Cc2ccccn2)C2CCCCC2)CCCCC1
• Canonical SMILES: C1CCC(CC1)C(=Cc1ccccn1)C1CCCCC1
• InChI: InChI=1S/C19H27N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h7-8,13-17H,1-6,9-12H2
• InChIKey: PRSORYIELNRERP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-dicyclohexylethenyl)pyridine
• IUPAC Traditional name: 2-(2,2-dicyclohexylethenyl)pyridine
• Synonyms: 2-(2,2-Dicyclohexylethenyl)pyridine; 2-(2,2-Dicyclohexylvinyl)pyridine (E/Z Mixture)

Database IDs

• CAS Number: 3626-67-3
• PubChem SID: 162261322
• PubChem CID: 20348862

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4968534
• LogD (pH = 7.4): 5.5582223
• Log P: 5.5590687
• Molar Refractivity: 85.3966 cm^3
• Polarizability: 33.659317 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Brown Oil

DETAILS

Toronto Research Chemicals - D439360

Intermediate in the preparation of Perhexiline.