4,5-diethyl-5-methylfuran-2-one

C9H14O2 — CID 21465719

IUPAC4,5-diethyl-5-methylfuran-2-one
SMILESCCC1=CC(=O)OC1(C)CC
InChIInChI=1S/C9H14O2/c1-4-7-6-8(10)11-9(7,3)5-2/h6H,4-5H2,1-3H3
InChIKeyNUHLITGCBRRXBE-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About 4,5-diethyl-5-methylfuran-2-one

4,5-diethyl-5-methylfuran-2-one (PubChem CID 21465719) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4,5-diethyl-5-methylfuran-2-one.

Molecular Properties

Compound Name4,5-diethyl-5-methylfuran-2-one
PubChem CID21465719
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4,5-diethyl-5-methylfuran-2-one
SMILESCCC1=CC(=O)OC1(C)CC
InChIInChI=1S/C9H14O2/c1-4-7-6-8(10)11-9(7,3)5-2/h6H,4-5H2,1-3H3
InChIKeyNUHLITGCBRRXBE-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5,5-dimethylfuran-2-one
CID 86168060
5-ethyl-4,5-dimethylfuran-2-one
CID 15587440
(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one
CID 142346753
5-hydroxy-5-methyl-4-octylfuran-2-one
CID 15233113
4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531
5-(1,3-dioxolan-2-ylmethyl)-4-iodo-5-methylfuran-2-one
CID 72701368
5-(cyclopropylmethyl)-4-hydroxy-5-methylfuran-2-one
CID 177220587
(3S)-3-ethyl-3,4,6-trimethyl-2-benzofuran-1-one
CID 92982290
methyl (2S)-4-ethoxy-2-ethyl-6-oxo-3H-pyran-2-carboxylate
CID 102462432
2,2-dimethyl-5-oxofuran-3-carboxamide
CID 123657505
2-ethyl-4-hydroxy-2,5-dimethylfuran-3-one
CID 67094155
4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one
CID 10822930

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-5-methylfuran-2-one?
The IUPAC name of 4,5-diethyl-5-methylfuran-2-one (CID 21465719) is 4,5-diethyl-5-methylfuran-2-one.
What is the SMILES notation for 4,5-diethyl-5-methylfuran-2-one?
The canonical SMILES for 4,5-diethyl-5-methylfuran-2-one is CCC1=CC(=O)OC1(C)CC.
What is the InChIKey of 4,5-diethyl-5-methylfuran-2-one?
The InChIKey is NUHLITGCBRRXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-7-6-8(10)11-9(7,3)5-2/h6H,4-5H2,1-3H3.
What are the key properties of 4,5-diethyl-5-methylfuran-2-one?
4,5-diethyl-5-methylfuran-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-5-methylfuran-2-one is sourced from PubChem (CID 21465719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).