AC1MTCT3

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

Also Known As: CBMicro_018070|Oprea1_581232|KS-00004CYH|BIM-0018195.P001|F1516-5377|AB00103592-01|2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione|SR-01000012989-1|2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-2-thienylmethyl]-5,5-dimethyl-1,3-cyclohexanedione|2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione|2-((2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-2-yl)methyl)-5,5-dimethylcyclohexane-1,3-dione|2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-thiophen-2-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione|2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)-2-thienylmethyl]-5,5-dimet hylcyclohexane-1,3-dione|1,3-Cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-2-thienylmethyl]-5,5-dimethyl-

Molecular Formula	C21H26O4S
Molecular Weight	374.15518 g/mol
LogP	4.6073
Topological Polar Surface Area	71.44 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	374.15518
Monoisotopic Mass	374.15518
Heavy Atoms	26
Complexity	762.94293

Chemical Identifiers

CAS Number	6176-06-3
SMILES	CC1(CC(=O)C(C(=O)C1)C(C2=CC=CS2)C3=C(CC(CC3=O)(C)C)O)C