[1,1'-Bicyclohexyl]-4-one, 4'-butyl-, trans-|92413-47-3,AngeneChemical

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[1,1'-Bicyclohexyl]-4-one, 4'-butyl-, trans-

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Chemical Name:	[1,1'-Bicyclohexyl]-4-one, 4'-butyl-, trans-
CAS Number:	92413-47-3
Product Number:	AG00GUQT(AGN-PC-0VZGFF)
Synonyms:
MDL No:
Molecular Formula:	C16H28O
Molecular Weight:	236.3929

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Computed Properties

Molecular Weight:

236.399g/mol

XLogP3:

5.3

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

236.214g/mol

Monoisotopic Mass:

236.214g/mol

Topological Polar Surface Area:

17.1A^2

Heavy Atom Count:

Formal Charge:

Complexity:

228

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H302-H315-H319

Precautionary Statements:

P261-P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

The compound trans-4′-Butyl[1,1′-bicyclohexyl]-4-one serves as a versatile building block in organic chemical synthesis. It is widely utilized as a key intermediate for the preparation of various pharmaceuticals, agrochemicals, and advanced materials due to its unique chemical structure and reactivity properties. This compound can undergo various types of chemical transformations, such as nucleophilic addition, oxidation, and reduction, enabling the synthesis of diverse organic molecules with specific functional groups and stereochemistry. Moreover, its rigid bicyclohexyl backbone imparts structural rigidity and stereocontrol in target molecules, making it an essential component in the development of complex organic compounds with high efficiency and selectivity.