AC1LCIIH

2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione

Also Known As: Oprea1_525997|Oprea1_594349|KS-00004AAG|BAS 00632512|VU0130139-2|F1516-2282|2-((2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(pyridin-3-yl)methyl)-5,5-dimethylcyclohexane-1,3-dione|2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(pyridin-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione|SR-01000493525-1|2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione|2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(3-pyridinyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione|2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(3-pyridyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione|2-[(2-Hydroxy-4,4-dimethyl-6-oxo-cyclohex-1-enyl)-pyridin-3-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione|2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)-3-pyridylmethyl]-5,5-dimet hylcyclohexane-1,3-dione

Molecular Formula	C22H27NO4
Molecular Weight	369.194 g/mol
LogP	2.4
Topological Polar Surface Area	84.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	369.194
Monoisotopic Mass	369.194
Heavy Atoms	27
Complexity	668.0

Chemical Identifiers

CAS Number	307338-73-4
SMILES	CC1(CC(=O)C(C(=O)C1)C(C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)C
InChIKey	FTGCYVFTMWERHW-UHFFFAOYSA-N