2-ethyl-2H-furan-5-one

C6H8O2 — CID 16997

IUPAC2-ethyl-2H-furan-5-one
SMILESCCC1C=CC(=O)O1
InChIInChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3
InChIKeyGOUILHYTHSOMQJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.88
Rot. Bonds1

About 2-ethyl-2H-furan-5-one

2-ethyl-2H-furan-5-one (PubChem CID 16997) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-ethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-ethyl-2H-furan-5-one
PubChem CID16997
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-ethyl-2H-furan-5-one
SMILESCCC1C=CC(=O)O1
InChIInChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3
InChIKeyGOUILHYTHSOMQJ-UHFFFAOYSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2H-furan-5-one?
The IUPAC name of 2-ethyl-2H-furan-5-one (CID 16997) is 2-ethyl-2H-furan-5-one.
What is the SMILES notation for 2-ethyl-2H-furan-5-one?
The canonical SMILES for 2-ethyl-2H-furan-5-one is CCC1C=CC(=O)O1.
What is the InChIKey of 2-ethyl-2H-furan-5-one?
The InChIKey is GOUILHYTHSOMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-2H-furan-5-one?
2-ethyl-2H-furan-5-one has a molecular weight of 112.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2H-furan-5-one is sourced from PubChem (CID 16997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).