Tetrahydro-α-hydroxy-α-methyl-2-(1-methylethoxy)-5-oxo-2H-pyran-4-acetic acid Methyl Ester - CAS 1044244-99-6

Catalog:	BB076750
Product Name:	Tetrahydro-α-hydroxy-α-methyl-2-(1-methylethoxy)-5-oxo-2H-pyran-4-acetic acid Methyl Ester
CAS:	1044244-99-6
Synonyms:	methyl 2-hydroxy-2-(5-oxo-2-propan-2-yloxyoxan-4-yl)propanoate; Methyl 2-hydroxy-2-{5-oxo-2-[(propan-2-yl)oxy]oxan-4-yl}propanoate; Methyl 2-hydroxy-2-(2-isopropoxy-5-oxotetrahydro-2H-pyran-4-yl)propanoate; TETRAHYDRO-ALPHA-HYDROXY-ALPHA-METHYL-2-(1-METHYLETHOXY)-5-OXO-2H-PYRAN-4-ACETIC ACID METHYL ESTER; Tetrahydro-\|A-hydroxy-\|A-methyl-2-(1-methylethoxy)-5-oxo-2H-pyran-4-acetic acid Methyl Ester

Technical Data

IUPAC Name:	methyl 2-hydroxy-2-(5-oxo-2-propan-2-yloxyoxan-4-yl)propanoate
Description:	Used in the preparation of germination stimulant furopyranones.
Molecular Weight:	260.28
Molecular Formula:	C12H20O6
Canonical SMILES:	CC(C)OC1CC(C(=O)CO1)C(C)(C(=O)OC)O
InChI:	InChI=1S/C12H20O6/c1-7(2)18-10-5-8(9(13)6-17-10)12(3,15)11(14)16-4/h7-8,10,15H,5-6H2,1-4H3
InChI Key:	XEXIPMYISVSJSK-UHFFFAOYSA-N
Solubility:	Dichloromethane, Ethyl Acetate
Appearance:	Colorless Oil
References:	Nagase, R. et al.; Tetrahedron Lett. 49, 4509 (2008).

Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.12598835
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.12598835
Rotatable Bond Count:	5
Topological Polar Surface Area:	82.1Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8