3-ethoxy-2H-furan-5-one

C6H8O3 — CID 10866347

IUPAC3-ethoxy-2H-furan-5-one
SMILESCCOC1=CC(=O)OC1
InChIInChI=1S/C6H8O3/c1-2-8-5-3-6(7)9-4-5/h3H,2,4H2,1H3
InChIKeyWRXKKVYMUWQSDZ-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds2

About 3-ethoxy-2H-furan-5-one

3-ethoxy-2H-furan-5-one (PubChem CID 10866347) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-ethoxy-2H-furan-5-one.

Molecular Properties

Compound Name3-ethoxy-2H-furan-5-one
PubChem CID10866347
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3-ethoxy-2H-furan-5-one
SMILESCCOC1=CC(=O)OC1
InChIInChI=1S/C6H8O3/c1-2-8-5-3-6(7)9-4-5/h3H,2,4H2,1H3
InChIKeyWRXKKVYMUWQSDZ-UHFFFAOYSA-N
XLogP0.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2H-furan-5-one?
The IUPAC name of 3-ethoxy-2H-furan-5-one (CID 10866347) is 3-ethoxy-2H-furan-5-one.
What is the SMILES notation for 3-ethoxy-2H-furan-5-one?
The canonical SMILES for 3-ethoxy-2H-furan-5-one is CCOC1=CC(=O)OC1.
What is the InChIKey of 3-ethoxy-2H-furan-5-one?
The InChIKey is WRXKKVYMUWQSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-8-5-3-6(7)9-4-5/h3H,2,4H2,1H3.
What are the key properties of 3-ethoxy-2H-furan-5-one?
3-ethoxy-2H-furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2H-furan-5-one is sourced from PubChem (CID 10866347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).