Spiro[5.5]undecane-2,4-dione


Chemical Name: Spiro[5.5]undecane-2,4-dione
CAS Number: 1481-99-8
Product Number: AG001FG3(AGN-PC-0LK8X9)
Synonyms:
MDL No:
Molecular Formula: C11H16O2
Molecular Weight: 180.2435

Identification/Properties


Properties
BP:
329.1°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Computed Properties
Molecular Weight:
180.247g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
180.115g/mol
Monoisotopic Mass:
180.115g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
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



Spiro[5.5]undecane-2,4-dione is a versatile compound widely utilized in chemical synthesis as a building block for the creation of complex molecular structures. This unique molecule contains a spirocyclic moiety that imparts distinct reactivity and stereochemical properties, making it a valuable tool in organic chemistry.In organic synthesis, Spiro[5.5]undecane-2,4-dione serves as a key intermediate for the preparation of various heterocyclic systems and natural product derivatives. By undergoing selective transformations, this compound can be modified to introduce different functional groups or stereochemical elements, allowing for the construction of diverse molecular scaffolds.Furthermore, the spirocyclic nature of Spiro[5.5]undecane-2,4-dione offers opportunities for designing chiral ligands, catalysts, and pharmacophores with defined spatial arrangements. Its structural motif can enhance molecular recognition and specificity in binding interactions, making it a valuable component in drug discovery and medicinal chemistry.Overall, the application of Spiro[5.5]undecane-2,4-dione in chemical synthesis lies in its ability to enable the efficient construction of complex molecules with unique structural features and potential biological activities.