[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

C11H16O5 — CID 100997525

IUPAC[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1OC(O)C=CC1=O
InChIInChI=1S/C11H16O5/c1-11(2,3)10(14)15-6-8-7(12)4-5-9(13)16-8/h4-5,8-9,13H,6H2,1-3H3/t8-,9?/m1/s1
InChIKeyXIXOUPGYHVBXSA-VEDVMXKPSA-N
MW228.24 g/mol
LogP0.42
Rot. Bonds2

About [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (PubChem CID 100997525) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
PubChem CID100997525
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@H]1OC(O)C=CC1=O
InChIInChI=1S/C11H16O5/c1-11(2,3)10(14)15-6-8-7(12)4-5-9(13)16-8/h4-5,8-9,13H,6H2,1-3H3/t8-,9?/m1/s1
InChIKeyXIXOUPGYHVBXSA-VEDVMXKPSA-N
XLogP0.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6R)-2-ethoxy-6-(hydroxymethyl)-2H-pyran-5-one
CID 11367256
[(2S,6R)-5-oxo-2-pentoxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305269
[(2S,6R)-2-hexoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305270
(2S,6R)-6-(hydroxymethyl)-2-isopropoxy-2H-pyran-5-one
CID 54585249
(2S,6R)-6-(hydroxymethyl)-2-prop-2-enoxy-2H-pyran-5-one
CID 137635065
(2S,6R)-6-(hydroxymethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2H-pyran-5-one
CID 137648350
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53249072
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
[(2S,6R)-4-(hydroxymethyl)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53304829
(2S,6R)-6-(hydroxymethyl)-2-methoxy-2H-pyran-5-one
CID 53305122
(2S,6R)-6-(hydroxymethyl)-2-isobutoxy-2H-pyran-5-one
CID 53305124

Frequently Asked Questions

What is the IUPAC name of [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (CID 100997525) is [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@H]1OC(O)C=CC1=O.
What is the InChIKey of [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is XIXOUPGYHVBXSA-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H16O5/c1-11(2,3)10(14)15-6-8-7(12)4-5-9(13)16-8/h4-5,8-9,13H,6H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 228.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 100997525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).