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

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

Formula: C22H28O4S

SMILES: CC1=CC=C(S1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O

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

InChI: InChI=1S/C22H28O4S/c1-12-6-7-17(27-12)20(18-13(23)8-21(2,3)9-14(18)24)19-15(25)10-22(4,5)11-16(19)26/h6-7,18-20H,8-11H2,1-5H3

Composition: C (68.01%), H (7.26%), O (16.47%), S (8.25%)

Molar Mass: 388.52

Atom Count: 55

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	388.170830556
Formal Charge	0
FSP3	0.64
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RMAUMJRCXBHFNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.34
Topological Polar Surface Area	68.28
Polarizability	40.9
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H28O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00