[(2S)-5-oxo-2H-pyran-2-yl] acetate

C7H8O4 — CID 10920749

IUPAC[(2S)-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)CO1
InChIInChI=1S/C7H8O4/c1-5(8)11-7-3-2-6(9)4-10-7/h2-3,7H,4H2,1H3/t7-/m0/s1
InChIKeyJJVMFCRCFSJODB-ZETCQYMHSA-N
MW156.14 g/mol
LogP0.03
Rot. Bonds1

About [(2S)-5-oxo-2H-pyran-2-yl] acetate

[(2S)-5-oxo-2H-pyran-2-yl] acetate (PubChem CID 10920749) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is [(2S)-5-oxo-2H-pyran-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-5-oxo-2H-pyran-2-yl] acetate
PubChem CID10920749
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name[(2S)-5-oxo-2H-pyran-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)CO1
InChIInChI=1S/C7H8O4/c1-5(8)11-7-3-2-6(9)4-10-7/h2-3,7H,4H2,1H3/t7-/m0/s1
InChIKeyJJVMFCRCFSJODB-ZETCQYMHSA-N
XLogP0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-oxo-2H-pyran-2-yl] acetate?
The IUPAC name of [(2S)-5-oxo-2H-pyran-2-yl] acetate (CID 10920749) is [(2S)-5-oxo-2H-pyran-2-yl] acetate.
What is the SMILES notation for [(2S)-5-oxo-2H-pyran-2-yl] acetate?
The canonical SMILES for [(2S)-5-oxo-2H-pyran-2-yl] acetate is CC(=O)O[C@H]1C=CC(=O)CO1.
What is the InChIKey of [(2S)-5-oxo-2H-pyran-2-yl] acetate?
The InChIKey is JJVMFCRCFSJODB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H8O4/c1-5(8)11-7-3-2-6(9)4-10-7/h2-3,7H,4H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-5-oxo-2H-pyran-2-yl] acetate?
[(2S)-5-oxo-2H-pyran-2-yl] acetate has a molecular weight of 156.14 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-oxo-2H-pyran-2-yl] acetate is sourced from PubChem (CID 10920749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).