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CAS 14818-35-0
PharmaCompass
  • Chemistry
CAS 14818-35-0
Also known as: 14818-35-0, Unii-842dt6216z, 4-methyl-6-cyclohexyl-2-pyrone, 6-cyclohexyl-4-methylpyran-2-one, Ak141252, Ciclopirox related compound b
Molecular Formula
C12H16O2
Molecular Weight
192.258  g/mol
InChI Key
GPKRKAFTZYODFF-UHFFFAOYSA-N
FDA UNII
842DT6216Z

1 2D Structure

CAS 14818-35-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-cyclohexyl-4-methylpyran-2-one
2.1.2 InChI
InChI=1S/C12H16O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
2.1.3 InChI Key
GPKRKAFTZYODFF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=O)OC(=C1)C2CCCCC2
2.2 Other Identifiers
2.2.1 UNII
842DT6216Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 14818-35-0

2. Unii-842dt6216z

3. 4-methyl-6-cyclohexyl-2-pyrone

4. 6-cyclohexyl-4-methylpyran-2-one

5. Ak141252

6. Ciclopirox Related Compound B

7. Schembl9765298

8. 6-cyclohexyl-4-methyl-2-pyrone

9. Ctk4c5720

10. Dtxsid80163900

11. Gpkrkaftzyodff-uhfffaoysa-n

12. Molport-028-747-278

13. Ks-00000ru5

14. Fch878652

15. Mfcd09953433

16. Zinc77050238

17. Akos006311314

18. 842dt6216z

19. Ds-7241

20. 2h-pyran-2-one,6-cyclohexyl-4-methyl-

21. Sc-93510

22. Aj-122608

23. Ax8281443

24. Ft-0665361

25. St24045333

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 192.258 g/mol
Molecular Formula C12H16O2
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass192.115 g/mol
Monoisotopic Mass192.115 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count14
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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