[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate

C10H12O6 — CID 90475426

IUPAC[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)O[C@@H]1C=C(C)C(=O)[C@@H](OC(C)=O)O1
InChIInChI=1S/C10H12O6/c1-5-4-8(14-6(2)11)16-10(9(5)13)15-7(3)12/h4,8,10H,1-3H3/t8-,10-/m0/s1
InChIKeyJHIBUQBSRYGOSS-WPRPVWTQSA-N
MW228.20 g/mol
LogP0.31
Rot. Bonds2

About [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate

[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate (PubChem CID 90475426) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate.

Molecular Properties

Compound Name[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate
PubChem CID90475426
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)O[C@@H]1C=C(C)C(=O)[C@@H](OC(C)=O)O1
InChIInChI=1S/C10H12O6/c1-5-4-8(14-6(2)11)16-10(9(5)13)15-7(3)12/h4,8,10H,1-3H3/t8-,10-/m0/s1
InChIKeyJHIBUQBSRYGOSS-WPRPVWTQSA-N
XLogP0.31
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642
(3-methyl-2H-pyran-2-yl) acetate
CID 175253365
(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) acetate
CID 135170500
(5-acetyloxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)methyl acetate
CID 121223272
(3-oxo-4H-1,4-oxazin-2-yl) acetate
CID 143843630
[10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3-yl] acetate
CID 566768
(5-methyl-2,3-dihydrofuran-3-yl) acetate
CID 57066065
2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate
CID 157160193
[(2R,5R)-5-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2,5-dihydrofuran-2-yl] acetate
CID 101348346
(5-butyl-4-iodo-3-methyl-2,5-dihydrofuran-2-yl) acetate
CID 102165951
[6-(3-acetyloxy-1-oxo-3H-2-benzofuran-5-carbonyl)-3-oxo-1H-2-benzofuran-1-yl] acetate
CID 23314202
[5-acetyloxy-4-[1-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-2,5-dihydrofuran-2-yl] acetate
CID 23427973

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate?
The IUPAC name of [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate (CID 90475426) is [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate.
What is the SMILES notation for [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate?
The canonical SMILES for [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate is CC(=O)O[C@@H]1C=C(C)C(=O)[C@@H](OC(C)=O)O1.
What is the InChIKey of [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate?
The InChIKey is JHIBUQBSRYGOSS-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H12O6/c1-5-4-8(14-6(2)11)16-10(9(5)13)15-7(3)12/h4,8,10H,1-3H3/t8-,10-/m0/s1.
What are the key properties of [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate?
[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate has a molecular weight of 228.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate is sourced from PubChem (CID 90475426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).