4-ethyl-5,5-dimethylfuran-2-one

C8H12O2 — CID 86168060

IUPAC4-ethyl-5,5-dimethylfuran-2-one
SMILESCCC1=CC(=O)OC1(C)C
InChIInChI=1S/C8H12O2/c1-4-6-5-7(9)10-8(6,2)3/h5H,4H2,1-3H3
InChIKeyLDRRMLMTKAYMNF-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About 4-ethyl-5,5-dimethylfuran-2-one

4-ethyl-5,5-dimethylfuran-2-one (PubChem CID 86168060) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-ethyl-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name4-ethyl-5,5-dimethylfuran-2-one
PubChem CID86168060
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-ethyl-5,5-dimethylfuran-2-one
SMILESCCC1=CC(=O)OC1(C)C
InChIInChI=1S/C8H12O2/c1-4-6-5-7(9)10-8(6,2)3/h5H,4H2,1-3H3
InChIKeyLDRRMLMTKAYMNF-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

Linalyl Acetate
CID 8294
Linalyl acetate, (-)-
CID 442474
1,6-Nonadien-3-ol, 3,7-dimethyl-, 3-acetate
CID 6434672
4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
4,5,5-Trimethyl-2,5-dihydrofuran-2-one
CID 12261378
3,5,5-Trimethyl-2(5H)-furanone
CID 39738
(+)-Linalyl acetate
CID 6999980
(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 21668635
3-Isopropyl-2-penten-4-olide
CID 86168058
3,7-Dimethylnona-1,6-dien-3-yl acetate
CID 43851
3,4,5,5-Tetramethylfuran-2-one
CID 292845
2(5H)-Furanone, 4-(1-hydroxy-1-methylethyl)-5,5-dimethyl-
CID 13419739

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,5-dimethylfuran-2-one?
The IUPAC name of 4-ethyl-5,5-dimethylfuran-2-one (CID 86168060) is 4-ethyl-5,5-dimethylfuran-2-one.
What is the SMILES notation for 4-ethyl-5,5-dimethylfuran-2-one?
The canonical SMILES for 4-ethyl-5,5-dimethylfuran-2-one is CCC1=CC(=O)OC1(C)C.
What is the InChIKey of 4-ethyl-5,5-dimethylfuran-2-one?
The InChIKey is LDRRMLMTKAYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-6-5-7(9)10-8(6,2)3/h5H,4H2,1-3H3.
What are the key properties of 4-ethyl-5,5-dimethylfuran-2-one?
4-ethyl-5,5-dimethylfuran-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,5-dimethylfuran-2-one is sourced from PubChem (CID 86168060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).