1,3-dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

1,3-dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Formula: C18H20O8

SMILES: COC(=O)C1C(C(C(=O)OC)C(C)(O)CC1=O)C1=CC=C2OCOC2=C1

IUPAC: 1,3-dimethyl 2-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

InChI: InChI=1/C18H20O8/c1-18(22)7-10(19)14(16(20)23-2)13(15(18)17(21)24-3)9-4-5-11-12(6-9)26-8-25-11/h4-6,13-15,22H,7-8H2,1-3H3

Composition: C (59.34%), H (5.53%), O (35.13%)

Molar Mass: 364.35

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	364.115817604
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	AKIVAEMHBBAVNN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.73
Topological Polar Surface Area	108.36
Polarizability	34.7
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00