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CAS 84078-44-4

:

4-Pentylphenyl (trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylate

Description:
4-Pentylphenyl (trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylate, with CAS number 84078-44-4, is an organic compound characterized by its complex structure, which includes a bicyclic framework and multiple alkyl substituents. This compound typically exhibits properties associated with liquid crystals, making it of interest in materials science, particularly in the development of liquid crystal displays (LCDs). Its molecular structure suggests it may possess a degree of rigidity due to the bicyclohexyl moiety, while the pentyl and propyl groups contribute to its solubility and phase behavior. The presence of the carboxylate functional group indicates potential for hydrogen bonding and interactions with other polar substances. Additionally, the trans,trans configuration of the bicyclic system may influence its thermal and optical properties, which are critical for applications in electronic devices. Overall, this compound's unique structural features and functional groups make it a subject of interest in both theoretical studies and practical applications in the field of organic chemistry and materials science.
Formula:C27H41O2
InChI:InChI=1/C27H42O2/c1-3-5-6-8-22-11-15-25(16-12-22)27(19-17-23(18-20-27)26(28)29)24-13-9-21(7-4-2)10-14-24/h11-12,15-16,21,23-24H,3-10,13-14,17-20H2,1-2H3,(H,28,29)/p-1
InChI key:InChIKey=QDZHKLQGOIWETL-QWZLJSJVNA-N
SMILES:C(OC1=CC=C(CCCCC)C=C1)(=O)[C@H]2CC[C@@](CC2)([C@]3(CC[C@H](CCC)CC3)[H])[H]
Synonyms:
  • [1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 4-pentylphenyl ester, (trans,trans)-
  • 4-Pentylphenyl (trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylate
  • 3CCEP5
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