2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde

C10H16O4 — CID 21437426

IUPAC2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde
SMILESCCOC1C=CC(CC=O)(OCC)O1
InChIInChI=1S/C10H16O4/c1-3-12-9-5-6-10(14-9,7-8-11)13-4-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRNFMMFQBEUJYJR-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds6

About 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde

2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde (PubChem CID 21437426) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde
PubChem CID21437426
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde
SMILESCCOC1C=CC(CC=O)(OCC)O1
InChIInChI=1S/C10H16O4/c1-3-12-9-5-6-10(14-9,7-8-11)13-4-2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRNFMMFQBEUJYJR-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde 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-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde?
The IUPAC name of 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde (CID 21437426) is 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde?
The canonical SMILES for 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde is CCOC1C=CC(CC=O)(OCC)O1.
What is the InChIKey of 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde?
The InChIKey is RNFMMFQBEUJYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-12-9-5-6-10(14-9,7-8-11)13-4-2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde?
2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde has a molecular weight of 200.23 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxy-2H-furan-5-yl)acetaldehyde is sourced from PubChem (CID 21437426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).