4-ethyl-3-hydroxy-2H-furan-5-one

C6H8O3 — CID 67932016

IUPAC4-ethyl-3-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)COC1=O
InChIInChI=1S/C6H8O3/c1-2-4-5(7)3-9-6(4)8/h7H,2-3H2,1H3
InChIKeyVDQPFFOORDNWQZ-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.77
Rot. Bonds1

About 4-ethyl-3-hydroxy-2H-furan-5-one

4-ethyl-3-hydroxy-2H-furan-5-one (PubChem CID 67932016) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-ethyl-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-ethyl-3-hydroxy-2H-furan-5-one
PubChem CID67932016
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-ethyl-3-hydroxy-2H-furan-5-one
SMILESCCC1=C(O)COC1=O
InChIInChI=1S/C6H8O3/c1-2-4-5(7)3-9-6(4)8/h7H,2-3H2,1H3
InChIKeyVDQPFFOORDNWQZ-UHFFFAOYSA-N
XLogP0.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-hydroxy-2H-furan-5-one?
The IUPAC name of 4-ethyl-3-hydroxy-2H-furan-5-one (CID 67932016) is 4-ethyl-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-ethyl-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-ethyl-3-hydroxy-2H-furan-5-one is CCC1=C(O)COC1=O.
What is the InChIKey of 4-ethyl-3-hydroxy-2H-furan-5-one?
The InChIKey is VDQPFFOORDNWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-4-5(7)3-9-6(4)8/h7H,2-3H2,1H3.
What are the key properties of 4-ethyl-3-hydroxy-2H-furan-5-one?
4-ethyl-3-hydroxy-2H-furan-5-one has a molecular weight of 128.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 67932016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).