[(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642
[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate
CID 15084207
(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 102025925
tert-butyl (5-oxo-2H-furan-2-yl) carbonate
CID 11074395
[(2R,3S,4S,5R,6R)-6-[(2R)-2-decyl-4-oxo-2,3-dihydropyridin-1-yl]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
CID 11377633
[(3R,4R,5S,6S)-4,5-bis(2,2-dimethylpropanoyloxy)-6-[(2S)-2-ethyl-4-oxo-2,3-dihydropyridin-1-yl]oxan-3-yl] 2,2-dimethylpropanoate
CID 102251597
[(2R,3S,6R)-3-(2,2-dimethylpropanoyloxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 11782724
[(6S)-5-oxo-6-pent-4-enyl-2H-pyran-2-yl] acetate
CID 102430834
[(3S,6R)-6-amino-4,5-bis(2,2-dimethylpropanoyloxy)-2-methyloxan-3-yl] 2,2-dimethylpropanoate
CID 134970767
[(2R,3S,6R)-3-methyl-6-pentyl-3,6-dihydro-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 102298609
(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
CID 101353726

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).