2-[(4,4-dimethyl-2,6-dioxocyclohexyl)[4-(dimethylamino)phenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione

2-[(4,4-dimethyl-2,6-dioxocyclohexyl)[4-(dimethylamino)phenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione

Formula: C25H33NO4

SMILES: CN(C)C1=CC=C(C=C1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O

IUPAC: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)[4-(dimethylamino)phenyl]methyl]-5,5-dimethylcyclohexane-1,3-dione

InChI: InChI=1S/C25H33NO4/c1-24(2)11-17(27)22(18(28)12-24)21(15-7-9-16(10-8-15)26(5)6)23-19(29)13-25(3,4)14-20(23)30/h7-10,21-23H,11-14H2,1-6H3

Composition: C (72.96%), H (8.08%), N (3.40%), O (15.55%)

Molar Mass: 411.542

Atom Count: 63

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	411.240958547
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	JVPRHRIFERQAJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.75
Topological Polar Surface Area	71.52
Polarizability	45.29
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H33NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00