2-methoxy-2H-pyran-5-one

C6H8O3 — CID 13011785

IUPAC2-methoxy-2H-pyran-5-one
SMILESCOC1C=CC(=O)CO1
InChIInChI=1S/C6H8O3/c1-8-6-3-2-5(7)4-9-6/h2-3,6H,4H2,1H3
InChIKeyAFMDMDCKEUYPDG-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.11
Rot. Bonds1

About 2-methoxy-2H-pyran-5-one

2-methoxy-2H-pyran-5-one (PubChem CID 13011785) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-methoxy-2H-pyran-5-one.

Molecular Properties

Compound Name2-methoxy-2H-pyran-5-one
PubChem CID13011785
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-methoxy-2H-pyran-5-one
SMILESCOC1C=CC(=O)CO1
InChIInChI=1S/C6H8O3/c1-8-6-3-2-5(7)4-9-6/h2-3,6H,4H2,1H3
InChIKeyAFMDMDCKEUYPDG-UHFFFAOYSA-N
XLogP0.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Levoglucosenone
CID 699486
6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one
CID 566824
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
5,5-Dimethoxypent-3-en-2-one
CID 13433795
Penisterine D
CID 170990689
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
1,6-Anhydro-3,4-dideoxy-glycero-hex-3-enopyranos-2-ulose
CID 148030
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
6-Acetoxy-2H-pyran-3(6H)-one
CID 11116290
2-methyl-6-acetoxy-3-oxo-3,6-dihydro-2H-pyran
CID 13031642
6-Hydroxy-6-methylpyran-3-one
CID 14827349

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2H-pyran-5-one?
The IUPAC name of 2-methoxy-2H-pyran-5-one (CID 13011785) is 2-methoxy-2H-pyran-5-one.
What is the SMILES notation for 2-methoxy-2H-pyran-5-one?
The canonical SMILES for 2-methoxy-2H-pyran-5-one is COC1C=CC(=O)CO1.
What is the InChIKey of 2-methoxy-2H-pyran-5-one?
The InChIKey is AFMDMDCKEUYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-8-6-3-2-5(7)4-9-6/h2-3,6H,4H2,1H3.
What are the key properties of 2-methoxy-2H-pyran-5-one?
2-methoxy-2H-pyran-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2H-pyran-5-one is sourced from PubChem (CID 13011785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).