4-methoxy-2-methyl-2H-furan-5-one

C6H8O3 — CID 14813848

IUPAC4-methoxy-2-methyl-2H-furan-5-one
SMILESCOC1=CC(C)OC1=O
InChIInChI=1S/C6H8O3/c1-4-3-5(8-2)6(7)9-4/h3-4H,1-2H3
InChIKeyKGFZDNKYZXTHTL-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds1

About 4-methoxy-2-methyl-2H-furan-5-one

4-methoxy-2-methyl-2H-furan-5-one (PubChem CID 14813848) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-2H-furan-5-one
PubChem CID14813848
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-methoxy-2-methyl-2H-furan-5-one
SMILESCOC1=CC(C)OC1=O
InChIInChI=1S/C6H8O3/c1-4-3-5(8-2)6(7)9-4/h3-4H,1-2H3
InChIKeyKGFZDNKYZXTHTL-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Di-O-acetylkojic acid
CID 96492
Diethyl 4-oxopyran-2,6-dicarboxylate
CID 316274
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
CID 830685
3-methoxy-2(5H)-furanone
CID 13597600
3-Hydroxy-5-methyl-2,5-dihydrofuran-2-one
CID 12435924
[(Z)-3-acetyloxy-4-oxopent-2-enyl] acetate
CID 44566756
3-methoxy-4,5-dimethyl-2(5H)-furanone
CID 15046850
Methyl 4,5-dihydrofuran-2-carboxylate
CID 12483585
(R)-5-methyl-tetronate
CID 162422389
ethyl (Z)-2-acetyloxy-4-methylpent-2-enoate
CID 21632750
ethyl (E)-2-acetyloxy-4-methylpent-2-enoate
CID 10954570
3-ethoxy-2-methyl-2H-furan-5-one
CID 12427224

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2H-furan-5-one?
The IUPAC name of 4-methoxy-2-methyl-2H-furan-5-one (CID 14813848) is 4-methoxy-2-methyl-2H-furan-5-one.
What is the SMILES notation for 4-methoxy-2-methyl-2H-furan-5-one?
The canonical SMILES for 4-methoxy-2-methyl-2H-furan-5-one is COC1=CC(C)OC1=O.
What is the InChIKey of 4-methoxy-2-methyl-2H-furan-5-one?
The InChIKey is KGFZDNKYZXTHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-3-5(8-2)6(7)9-4/h3-4H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-2H-furan-5-one?
4-methoxy-2-methyl-2H-furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2H-furan-5-one is sourced from PubChem (CID 14813848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).