(+)-4-[2-(3,5-Dimethyl-2-Oxocyclohexyl)-2-Hydroxyethyl]-2,6-Piperidinedione
[CAS# 6746-42-5]

Identification

• Name: (+)-4-[2-(3,5-Dimethyl-2-Oxocyclohexyl)-2-Hydroxyethyl]-2,6-Piperidinedione
• Synonyms: 4-[2-(3,5-Dimethyl-2-Oxo-Cyclohexyl)-2-Hydroxy-Ethyl]Piperidine-2,6-Dione; 4-[2-Hydroxy-2-(2-Keto-3,5-Dimethyl-Cyclohexyl)Ethyl]Piperidine-2,6-Quinone; Acon1_002312
• Molecular Formula: C₁₅H₂₃NO₄
• Molecular Weight: 281.35
• CAS Registry Number: 6746-42-5
• SMILES: C(C(C1C(C(CC(C1)C)C)=O)O)C2CC(NC(C2)=O)=O
• InChI: 1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)
• InChIKey: YPHMISFOHDHNIV-UHFFFAOYSA-N

Properties

• Density: 1.137g/cm³ (Cal.)
• Boiling point: 491.794°C at 760 mmHg (Cal.)
• Flash point: 251.228°C (Cal.)
• solubility: Soluble to 50 mM in ethanol and to 25 mM in water

References

• (1): Nguyen et al.. Analysis of the eukaryotic prenylome by isoprenoid affinity tagging, Nature Chemical Biology, 2009