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CAS 207399-18-6

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1,3-Cyclohexanedione, 5-(1-methylethyl)-, hydrate (1:?)

Description:
1,3-Cyclohexanedione, 5-(1-methylethyl)-, hydrate (CAS 207399-18-6) is an organic compound characterized by its cyclohexane ring structure with two ketone functional groups at the 1 and 3 positions, and an isopropyl group at the 5 position. This compound exists as a hydrate, indicating the presence of water molecules associated with its structure, which can influence its physical and chemical properties. Typically, such compounds exhibit moderate solubility in polar solvents due to the presence of functional groups that can engage in hydrogen bonding. The presence of the isopropyl group contributes to its hydrophobic character, potentially affecting its reactivity and interactions in various chemical environments. 1,3-Cyclohexanedione derivatives are often studied for their applications in organic synthesis, pharmaceuticals, and as intermediates in the production of more complex molecules. The specific hydrate form may also exhibit unique stability and reactivity profiles compared to its anhydrous counterparts.
Formula:C9H14O2·xH2O
InChI:InChI=1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2
InChI key:InChIKey=JYJVWRORYGGPHA-UHFFFAOYSA-N
SMILES:C(C)(C)C1CC(=O)CC(=O)C1.O
Synonyms:
  • 1,3-Cyclohexanedione, 5-(1-methylethyl)-, hydrate
  • 1,3-Cyclohexanedione, 5-(1-methylethyl)-, hydrate (1:?)
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