propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate

C11H16O4 — CID 102440229

IUPACpropan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate
SMILESCC1=CO[C@@](C)(C(=O)OC(C)C)CC1=O
InChIInChI=1S/C11H16O4/c1-7(2)15-10(13)11(4)5-9(12)8(3)6-14-11/h6-7H,5H2,1-4H3/t11-/m1/s1
InChIKeyXIVINSFRMSIJHO-LLVKDONJSA-N
MW212.25 g/mol
LogP1.59
Rot. Bonds2

About propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate

propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate (PubChem CID 102440229) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate
PubChem CID102440229
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Namepropan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate
SMILESCC1=CO[C@@](C)(C(=O)OC(C)C)CC1=O
InChIInChI=1S/C11H16O4/c1-7(2)15-10(13)11(4)5-9(12)8(3)6-14-11/h6-7H,5H2,1-4H3/t11-/m1/s1
InChIKeyXIVINSFRMSIJHO-LLVKDONJSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate (CID 102440229) is propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate is CC1=CO[C@@](C)(C(=O)OC(C)C)CC1=O.
What is the InChIKey of propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate?
The InChIKey is XIVINSFRMSIJHO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)15-10(13)11(4)5-9(12)8(3)6-14-11/h6-7H,5H2,1-4H3/t11-/m1/s1.
What are the key properties of propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate?
propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2,5-dimethyl-4-oxo-3H-pyran-2-carboxylate is sourced from PubChem (CID 102440229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).