3-(diethoxymethyl)furan

C9H14O3 — CID 7006657

IUPAC3-(diethoxymethyl)furan
SMILESCCOC(OCC)c1ccoc1
InChIInChI=1S/C9H14O3/c1-3-11-9(12-4-2)8-5-6-10-7-8/h5-7,9H,3-4H2,1-2H3
InChIKeyMTZMXGCDOYBCPN-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.35
Rot. Bonds5

About 3-(diethoxymethyl)furan

3-(diethoxymethyl)furan (PubChem CID 7006657) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(diethoxymethyl)furan.

Molecular Properties

Compound Name3-(diethoxymethyl)furan
PubChem CID7006657
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-(diethoxymethyl)furan
SMILESCCOC(OCC)c1ccoc1
InChIInChI=1S/C9H14O3/c1-3-11-9(12-4-2)8-5-6-10-7-8/h5-7,9H,3-4H2,1-2H3
InChIKeyMTZMXGCDOYBCPN-UHFFFAOYSA-N
XLogP2.35
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(diethoxymethyl)furan 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 3-(diethoxymethyl)furan?
The IUPAC name of 3-(diethoxymethyl)furan (CID 7006657) is 3-(diethoxymethyl)furan.
What is the SMILES notation for 3-(diethoxymethyl)furan?
The canonical SMILES for 3-(diethoxymethyl)furan is CCOC(OCC)c1ccoc1.
What is the InChIKey of 3-(diethoxymethyl)furan?
The InChIKey is MTZMXGCDOYBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-11-9(12-4-2)8-5-6-10-7-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 3-(diethoxymethyl)furan?
3-(diethoxymethyl)furan has a molecular weight of 170.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethyl)furan is sourced from PubChem (CID 7006657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).