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

C11H16O4 — CID 53230539

IUPAC[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
SMILESC[C@H]1O[C@H](OC(=O)C(C)(C)C)C=CC1=O
InChIInChI=1S/C11H16O4/c1-7-8(12)5-6-9(14-7)15-10(13)11(2,3)4/h5-7,9H,1-4H3/t7-,9-/m1/s1
InChIKeyHGRZDDFSXUXRPF-VXNVDRBHSA-N
MW212.25 g/mol
LogP1.45
Rot. Bonds1

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

[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate (PubChem CID 53230539) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
PubChem CID53230539
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
SMILESC[C@H]1O[C@H](OC(=O)C(C)(C)C)C=CC1=O
InChIInChI=1S/C11H16O4/c1-7-8(12)5-6-9(14-7)15-10(13)11(2,3)4/h5-7,9H,1-4H3/t7-,9-/m1/s1
InChIKeyHGRZDDFSXUXRPF-VXNVDRBHSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate (CID 53230539) is [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate is C[C@H]1O[C@H](OC(=O)C(C)(C)C)C=CC1=O.
What is the InChIKey of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
The InChIKey is HGRZDDFSXUXRPF-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-8(12)5-6-9(14-7)15-10(13)11(2,3)4/h5-7,9H,1-4H3/t7-,9-/m1/s1.
What are the key properties of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate?
[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate has a molecular weight of 212.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 53230539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).