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

C6H8O3 — CID 67359996

IUPAC3-ethoxy-3H-furan-2-one
SMILESCCOC1C=COC1=O
InChIInChI=1S/C6H8O3/c1-2-8-5-3-4-9-6(5)7/h3-5H,2H2,1H3
InChIKeyMCYUQYQRIJUWMW-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds2

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

3-ethoxy-3H-furan-2-one (PubChem CID 67359996) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-ethoxy-3H-furan-2-one.

Molecular Properties

Compound Name3-ethoxy-3H-furan-2-one
PubChem CID67359996
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name3-ethoxy-3H-furan-2-one
SMILESCCOC1C=COC1=O
InChIInChI=1S/C6H8O3/c1-2-8-5-3-4-9-6(5)7/h3-5H,2H2,1H3
InChIKeyMCYUQYQRIJUWMW-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-3H-furan-2-one?
The IUPAC name of 3-ethoxy-3H-furan-2-one (CID 67359996) is 3-ethoxy-3H-furan-2-one.
What is the SMILES notation for 3-ethoxy-3H-furan-2-one?
The canonical SMILES for 3-ethoxy-3H-furan-2-one is CCOC1C=COC1=O.
What is the InChIKey of 3-ethoxy-3H-furan-2-one?
The InChIKey is MCYUQYQRIJUWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-8-5-3-4-9-6(5)7/h3-5H,2H2,1H3.
What are the key properties of 3-ethoxy-3H-furan-2-one?
3-ethoxy-3H-furan-2-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-3H-furan-2-one is sourced from PubChem (CID 67359996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).