5-ethyl-2,3-dimethylfuran

C8H12O — CID 14977581

IUPAC5-ethyl-2,3-dimethylfuran
SMILESCCc1cc(C)c(C)o1
InChIInChI=1S/C8H12O/c1-4-8-5-6(2)7(3)9-8/h5H,4H2,1-3H3
InChIKeyRPDGPLVOCZMLMF-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.46
Rot. Bonds1

About 5-ethyl-2,3-dimethylfuran

5-ethyl-2,3-dimethylfuran (PubChem CID 14977581) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylfuran.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylfuran
PubChem CID14977581
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5-ethyl-2,3-dimethylfuran
SMILESCCc1cc(C)c(C)o1
InChIInChI=1S/C8H12O/c1-4-8-5-6(2)7(3)9-8/h5H,4H2,1-3H3
InChIKeyRPDGPLVOCZMLMF-UHFFFAOYSA-N
XLogP2.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylfuran?
The IUPAC name of 5-ethyl-2,3-dimethylfuran (CID 14977581) is 5-ethyl-2,3-dimethylfuran.
What is the SMILES notation for 5-ethyl-2,3-dimethylfuran?
The canonical SMILES for 5-ethyl-2,3-dimethylfuran is CCc1cc(C)c(C)o1.
What is the InChIKey of 5-ethyl-2,3-dimethylfuran?
The InChIKey is RPDGPLVOCZMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-8-5-6(2)7(3)9-8/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethylfuran?
5-ethyl-2,3-dimethylfuran has a molecular weight of 124.18 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylfuran is sourced from PubChem (CID 14977581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).