5,5-diethylfuran-2-one

C8H12O2 — CID 12515801

IUPAC5,5-diethylfuran-2-one
SMILESCCC1(CC)C=CC(=O)O1
InChIInChI=1S/C8H12O2/c1-3-8(4-2)6-5-7(9)10-8/h5-6H,3-4H2,1-2H3
InChIKeyMGFFAQXEPADZDB-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About 5,5-diethylfuran-2-one

5,5-diethylfuran-2-one (PubChem CID 12515801) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5,5-diethylfuran-2-one.

Molecular Properties

Compound Name5,5-diethylfuran-2-one
PubChem CID12515801
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5,5-diethylfuran-2-one
SMILESCCC1(CC)C=CC(=O)O1
InChIInChI=1S/C8H12O2/c1-3-8(4-2)6-5-7(9)10-8/h5-6H,3-4H2,1-2H3
InChIKeyMGFFAQXEPADZDB-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethylfuran-2-one?
The IUPAC name of 5,5-diethylfuran-2-one (CID 12515801) is 5,5-diethylfuran-2-one.
What is the SMILES notation for 5,5-diethylfuran-2-one?
The canonical SMILES for 5,5-diethylfuran-2-one is CCC1(CC)C=CC(=O)O1.
What is the InChIKey of 5,5-diethylfuran-2-one?
The InChIKey is MGFFAQXEPADZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(4-2)6-5-7(9)10-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,5-diethylfuran-2-one?
5,5-diethylfuran-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethylfuran-2-one is sourced from PubChem (CID 12515801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).