(5-oxo-2H-pyran-2-yl) acetate

C7H8O4 — CID 11116290

IUPAC(5-oxo-2H-pyran-2-yl) acetate
SMILESCC(=O)OC1C=CC(=O)CO1
InChIInChI=1S/C7H8O4/c1-5(8)11-7-3-2-6(9)4-10-7/h2-3,7H,4H2,1H3
InChIKeyJJVMFCRCFSJODB-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.03
Rot. Bonds1

About (5-oxo-2H-pyran-2-yl) acetate

(5-oxo-2H-pyran-2-yl) acetate (PubChem CID 11116290) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (5-oxo-2H-pyran-2-yl) acetate.

Molecular Properties

Compound Name(5-oxo-2H-pyran-2-yl) acetate
PubChem CID11116290
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(5-oxo-2H-pyran-2-yl) acetate
SMILESCC(=O)OC1C=CC(=O)CO1
InChIInChI=1S/C7H8O4/c1-5(8)11-7-3-2-6(9)4-10-7/h2-3,7H,4H2,1H3
InChIKeyJJVMFCRCFSJODB-UHFFFAOYSA-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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Related Compounds

6-methoxy-3,6-dihydro-2H-pyran-3-one
CID 13011785
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
2-methyl-6-acetoxy-3-oxo-3,6-dihydro-2H-pyran
CID 13031642
4-Oxo-5-methoxy-2-penten-5-olide
CID 86145415
[5-oxo-6-(trifluoromethyl)-2H-pyran-2-yl] acetate
CID 177545690
[(2R)-5-oxo-2H-pyran-2-yl] acetate
CID 10866577
2H-Pyran-3(6H)-one, 6-(acetyloxy)-, (6S)-
CID 10920749
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CID 11137555
tert-butyl [(2S,6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
CID 11665775
(2S,6S)-6-Methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl acetate
CID 71413762

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2H-pyran-2-yl) acetate?
The IUPAC name of (5-oxo-2H-pyran-2-yl) acetate (CID 11116290) is (5-oxo-2H-pyran-2-yl) acetate.
What is the SMILES notation for (5-oxo-2H-pyran-2-yl) acetate?
The canonical SMILES for (5-oxo-2H-pyran-2-yl) acetate is CC(=O)OC1C=CC(=O)CO1.
What is the InChIKey of (5-oxo-2H-pyran-2-yl) acetate?
The InChIKey is JJVMFCRCFSJODB-UHFFFAOYSA-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.
What are the key properties of (5-oxo-2H-pyran-2-yl) acetate?
(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 (5-oxo-2H-pyran-2-yl) acetate is sourced from PubChem (CID 11116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).