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2,2-Dimethyl-1,3-cyclopentanedione

Catalog Number
ACM3883587
Product Name
2,2-Dimethyl-1,3-cyclopentanedione
Structure
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CAS
3883-58-7
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Synonyms
AC1L2ET2; 1,3-Cyclopentanedione, 2,2-dimethyl-; MFCD00074900; AKOS004120700; AK-67640; 2,2-dimethylcyclopentane-1,3-dione; ZINC31623297; 2,2-dimethyl-cyclopentane-1,3-dione; DS-16688; SCHEMBL660844;
IUPAC Name
2,2-dimethylcyclopentane-1,3-dione;
Molecular Weight
126.155g/mol
Molecular Formula
C7H10O2;
Canonical SMILES
CC1(C(=O)CCC1=O)C;
InChI
InChI=1S/C7H10O2/c1-7(2)5(8)3-4-6(7)9/h3-4H2,1-2H3;
InChI Key
VXVZVJNSRQRUTI-UHFFFAOYSA-N;
Complexity
150
Covalently-Bonded Unit Count
1
Exact Mass
126.068g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
126.068g/mol
Topological Polar Surface Area
34.1A^2
Application
2,2-Dimethyl-1,3-cyclopentanedione serves as a crucial intermediate in synthetic organic chemistry, particularly in the synthesis of various cyclic compounds. Its unique structural features facilitate specific enolate chemistry, making it valuable in generating more complex molecular architectures. This compound plays a pivotal role in constructing tailored molecules for pharmaceuticals, agrochemicals, and other specialized materials, demonstrating its versatility as a building block in advanced chemical synthesis.
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