Cas no 102714-96-5 (1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)-)

1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- is a bicyclic organic compound characterized by its trans,trans-configuration, which enhances its structural stability and purity. The presence of ethoxy and pentyl substituents at the 4 and 4' positions contributes to its unique physicochemical properties, including controlled solubility and thermal stability. This compound is particularly valued in advanced material science and liquid crystal applications due to its well-defined molecular geometry and low volatility. Its high stereochemical purity ensures consistent performance in specialized formulations, making it suitable for research and industrial applications requiring precise chemical behavior. The rigid bicyclohexyl backbone further enhances its utility in high-performance materials.
1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- structure
102714-96-5 structure
Product Name:1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)-
CAS No:102714-96-5
MF:C19H36O
MW:280.48854637146
CID:125211
PubChem ID:559127
Update Time:2025-08-03

1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)-
    • 1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane
    • TRANS,TRANS-4''-PENTYL-4-ETHOXY-BICYCLOHEXYL
    • 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl
    • trans,trans-4'-Pentyl-4-ethoxy-bicyclohexyl
    • TRANS,TRANS-4/'/'-PENTYL-4-ETHOXY-BICYCLOHEXYL
    • SCHEMBL7753053
    • AOAFANKMISPOFY-UHFFFAOYSA-N
    • 102714-96-5
    • SCHEMBL4799760
    • DTXSID60339843
    • TRANS,TRANS-4-PENTYL-4-ETHOXY-BICYCLOHEXYL
    • SCHEMBL7753046
    • SCHEMBL10706737
    • SCHEMBL9349253
    • 1,1'-Bicyclohexyl, 4-ethoxy-4'-pentyl-
    • Inchi: 1S/C19H36O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h16-19H,3-15H2,1-2H3
    • InChI Key: AOAFANKMISPOFY-UHFFFAOYSA-N
    • SMILES: O(CC)C1CCC(CC1)C1CCC(CCCCC)CC1

Computed Properties

  • Exact Mass: 280.27700
  • Monoisotopic Mass: 280.276615768g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 7
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.1
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23000
  • LogP: 5.96840

1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- Pricemore >>

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Additional information on 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)-

Comprehensive Overview of 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- (CAS No. 102714-96-5)

The compound 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- (CAS No. 102714-96-5) is a specialized organic molecule with a unique bicyclohexyl backbone and functionalized side chains. This structure grants it distinct physicochemical properties, making it valuable in advanced material science and specialty chemical applications. Its trans,trans configuration ensures stability and predictability in performance, which is critical for researchers and industries seeking consistent results.

In recent years, the demand for high-performance liquid crystals and advanced polymers has surged, driven by innovations in display technologies and smart materials. 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- has emerged as a candidate for such applications due to its mesogenic properties. Users frequently search for terms like "liquid crystal compounds", "high-stability organic materials", and "bicyclohexyl derivatives", reflecting growing interest in this niche. This compound’s ethoxy and pentyl substituents further enhance its solubility and compatibility with other components, addressing common formulation challenges.

From a synthetic chemistry perspective, the preparation of 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- involves selective alkylation and etherification steps, often requiring precise catalytic conditions. Researchers exploring "green synthesis methods" or "low-waste organic reactions" may find this compound’s pathways relevant. Its CAS No. 102714-96-5 serves as a key identifier in patent literature and regulatory databases, underscoring its commercial and academic significance.

Environmental and safety considerations are also paramount in modern chemical usage. While 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- is not classified as hazardous, its handling requires standard laboratory precautions. Searches for "biodegradable specialty chemicals" and "sustainable material additives" align with broader industry trends toward eco-friendly solutions, though this compound’s persistence in ecosystems remains under study.

In summary, 1,1'-Bicyclohexyl,4-ethoxy-4'-pentyl-, (trans,trans)- (CAS No. 102714-96-5) represents a versatile and technically intriguing molecule. Its applications span from optoelectronics to advanced coatings, meeting the needs of a rapidly evolving technological landscape. By integrating keyword-rich concepts like "stable bicyclic compounds" and "functionalized liquid crystal cores", this overview aims to bridge scientific rigor with accessible insights for diverse audiences.

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