2-ethyl-3,4-dimethyl-2H-furan-5-one

C8H12O2 — CID 12680873

IUPAC2-ethyl-3,4-dimethyl-2H-furan-5-one
SMILESCCC1OC(=O)C(C)=C1C
InChIInChI=1S/C8H12O2/c1-4-7-5(2)6(3)8(9)10-7/h7H,4H2,1-3H3
InChIKeyHVQFSDFJEPPHCF-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About 2-ethyl-3,4-dimethyl-2H-furan-5-one

2-ethyl-3,4-dimethyl-2H-furan-5-one (PubChem CID 12680873) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-ethyl-3,4-dimethyl-2H-furan-5-one
PubChem CID12680873
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-ethyl-3,4-dimethyl-2H-furan-5-one
SMILESCCC1OC(=O)C(C)=C1C
InChIInChI=1S/C8H12O2/c1-4-7-5(2)6(3)8(9)10-7/h7H,4H2,1-3H3
InChIKeyHVQFSDFJEPPHCF-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

Analyze 2-ethyl-3,4-dimethyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of 2-ethyl-3,4-dimethyl-2H-furan-5-one (CID 12680873) is 2-ethyl-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 2-ethyl-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 2-ethyl-3,4-dimethyl-2H-furan-5-one is CCC1OC(=O)C(C)=C1C.
What is the InChIKey of 2-ethyl-3,4-dimethyl-2H-furan-5-one?
The InChIKey is HVQFSDFJEPPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-7-5(2)6(3)8(9)10-7/h7H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,4-dimethyl-2H-furan-5-one?
2-ethyl-3,4-dimethyl-2H-furan-5-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 2-ethyl-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 12680873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).