2-(diethoxymethyl)-2H-furan-5-one

C9H14O4 — CID 10559449

IUPAC2-(diethoxymethyl)-2H-furan-5-one
SMILESCCOC(OCC)C1C=CC(=O)O1
InChIInChI=1S/C9H14O4/c1-3-11-9(12-4-2)7-5-6-8(10)13-7/h5-7,9H,3-4H2,1-2H3
InChIKeyOTQHQCZHTLJTOY-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.87
Rot. Bonds5

About 2-(diethoxymethyl)-2H-furan-5-one

2-(diethoxymethyl)-2H-furan-5-one (PubChem CID 10559449) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(diethoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(diethoxymethyl)-2H-furan-5-one
PubChem CID10559449
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-(diethoxymethyl)-2H-furan-5-one
SMILESCCOC(OCC)C1C=CC(=O)O1
InChIInChI=1S/C9H14O4/c1-3-11-9(12-4-2)7-5-6-8(10)13-7/h5-7,9H,3-4H2,1-2H3
InChIKeyOTQHQCZHTLJTOY-UHFFFAOYSA-N
XLogP0.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(diethoxymethyl)-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-(diethoxymethyl)-2H-furan-5-one?
The IUPAC name of 2-(diethoxymethyl)-2H-furan-5-one (CID 10559449) is 2-(diethoxymethyl)-2H-furan-5-one.
What is the SMILES notation for 2-(diethoxymethyl)-2H-furan-5-one?
The canonical SMILES for 2-(diethoxymethyl)-2H-furan-5-one is CCOC(OCC)C1C=CC(=O)O1.
What is the InChIKey of 2-(diethoxymethyl)-2H-furan-5-one?
The InChIKey is OTQHQCZHTLJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-3-11-9(12-4-2)7-5-6-8(10)13-7/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)-2H-furan-5-one?
2-(diethoxymethyl)-2H-furan-5-one has a molecular weight of 186.21 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 10559449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).