5-ethoxy-2,2-dimethylfuran-3-one

C8H12O3 — CID 13209943

IUPAC5-ethoxy-2,2-dimethylfuran-3-one
SMILESCCOC1=CC(=O)C(C)(C)O1
InChIInChI=1S/C8H12O3/c1-4-10-7-5-6(9)8(2,3)11-7/h5H,4H2,1-3H3
InChIKeyZKIKRBSUWNJBSH-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About 5-ethoxy-2,2-dimethylfuran-3-one

5-ethoxy-2,2-dimethylfuran-3-one (PubChem CID 13209943) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-ethoxy-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name5-ethoxy-2,2-dimethylfuran-3-one
PubChem CID13209943
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-ethoxy-2,2-dimethylfuran-3-one
SMILESCCOC1=CC(=O)C(C)(C)O1
InChIInChI=1S/C8H12O3/c1-4-10-7-5-6(9)8(2,3)11-7/h5H,4H2,1-3H3
InChIKeyZKIKRBSUWNJBSH-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-2,2-dimethylfuran-3-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 5-ethoxy-2,2-dimethylfuran-3-one?
The IUPAC name of 5-ethoxy-2,2-dimethylfuran-3-one (CID 13209943) is 5-ethoxy-2,2-dimethylfuran-3-one.
What is the SMILES notation for 5-ethoxy-2,2-dimethylfuran-3-one?
The canonical SMILES for 5-ethoxy-2,2-dimethylfuran-3-one is CCOC1=CC(=O)C(C)(C)O1.
What is the InChIKey of 5-ethoxy-2,2-dimethylfuran-3-one?
The InChIKey is ZKIKRBSUWNJBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-10-7-5-6(9)8(2,3)11-7/h5H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2,2-dimethylfuran-3-one?
5-ethoxy-2,2-dimethylfuran-3-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,2-dimethylfuran-3-one is sourced from PubChem (CID 13209943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).