2,5-diethoxy-3-methyl-2,5-dihydrofuran

C9H16O3 — CID 567466

IUPAC2,5-diethoxy-3-methyl-2,5-dihydrofuran
SMILESCCOC1C=C(C)C(OCC)O1
InChIInChI=1S/C9H16O3/c1-4-10-8-6-7(3)9(12-8)11-5-2/h6,8-9H,4-5H2,1-3H3
InChIKeyIRIVADLNWSOANN-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.69
Rot. Bonds4

About 2,5-diethoxy-3-methyl-2,5-dihydrofuran

2,5-diethoxy-3-methyl-2,5-dihydrofuran (PubChem CID 567466) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,5-diethoxy-3-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2,5-diethoxy-3-methyl-2,5-dihydrofuran
PubChem CID567466
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,5-diethoxy-3-methyl-2,5-dihydrofuran
SMILESCCOC1C=C(C)C(OCC)O1
InChIInChI=1S/C9H16O3/c1-4-10-8-6-7(3)9(12-8)11-5-2/h6,8-9H,4-5H2,1-3H3
InChIKeyIRIVADLNWSOANN-UHFFFAOYSA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5-diethoxy-3-methyl-2,5-dihydrofuran 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 2,5-diethoxy-3-methyl-2,5-dihydrofuran?
The IUPAC name of 2,5-diethoxy-3-methyl-2,5-dihydrofuran (CID 567466) is 2,5-diethoxy-3-methyl-2,5-dihydrofuran.
What is the SMILES notation for 2,5-diethoxy-3-methyl-2,5-dihydrofuran?
The canonical SMILES for 2,5-diethoxy-3-methyl-2,5-dihydrofuran is CCOC1C=C(C)C(OCC)O1.
What is the InChIKey of 2,5-diethoxy-3-methyl-2,5-dihydrofuran?
The InChIKey is IRIVADLNWSOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-10-8-6-7(3)9(12-8)11-5-2/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2,5-diethoxy-3-methyl-2,5-dihydrofuran?
2,5-diethoxy-3-methyl-2,5-dihydrofuran has a molecular weight of 172.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-3-methyl-2,5-dihydrofuran is sourced from PubChem (CID 567466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).