Description

1,1′-Bicyclohexyl, 4,4′-dipropyl- (CAS No. 86503-59-5) is a high-purity organic compound with the molecular formula C₁₈H₃₄. This bicyclohexyl derivative features two cyclohexyl rings connected at the 1,1′-positions, each substituted with a propyl group at the 4 and 4′-positions. Its IUPAC name is 1-propyl-4-(4-propylcyclohexyl)cyclohexane, and it is available in various isomeric forms, including the trans,trans and rel-(1s,1’s,4R,4’R) configurations. This compound is characterized by its hydrophobic nature and stable cyclohexyl backbone, making it suitable for advanced research in materials science, liquid crystal technology, and organic synthesis. It is supplied as a clear, colorless to pale yellow liquid with high chemical stability and low volatility under standard conditions.

Properties

• CAS Number: 86503-59-5
• Complexity: 180
• IUPAC Name: 1-propyl-4-(4-propylcyclohexyl)cyclohexane
• InChI: InChI=1S/C18H34/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h15-18H,3-14H2,1-2H3
• InChI Key: QYBFJRPJNNTNOV-UHFFFAOYSA-N
• Exact Mass: 250.266051085
• Molecular Formula: C18H34
• Molecular Weight: 250.5
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)CCC
• Monoisotopic Mass: 250.266051085
• Synonyms: 1,1′-Bicyclohexyl, 4,4′-dipropyl-, 86503-59-5, 3bcH3, 4,4′-dipropylbicyclohexyl, SCHEMBL5836340, SCHEMBL5836344, SCHEMBL6697654, SCHEMBL28288210, 1-propyl-4-(4-propylcyclohexyl)cyclohexane, trans,trans-4-n-Propyl-4′-n-propyl-1,1′-bicyclohexyl, Rel-(1s,1’s,4R,4’R)-4,4′-dipropyl-1,1′-bi(cyclohexane), 95672-34-7

Application

1,1′-Bicyclohexyl, 4,4′-dipropyl- is primarily used as a building block in the synthesis of liquid crystals and advanced organic materials. Its rigid bicyclic structure and alkyl substituents make it valuable for modulating mesomorphic properties in display technologies. Researchers also employ it as a non-polar solvent or additive in specialty chemical formulations. Additionally, it serves as a model compound for studying steric effects and conformational dynamics in cyclohexyl-based systems.

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