2H-furan-5,5-dicarbaldehyde

C6H6O3 — CID 134539122

IUPAC2H-furan-5,5-dicarbaldehyde
SMILESO=CC1(C=O)C=CCO1
InChIInChI=1S/C6H6O3/c7-4-6(5-8)2-1-3-9-6/h1-2,4-5H,3H2
InChIKeyAVWZBYIOQHRMNF-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.29
Rot. Bonds2

About 2H-furan-5,5-dicarbaldehyde

2H-furan-5,5-dicarbaldehyde (PubChem CID 134539122) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2H-furan-5,5-dicarbaldehyde.

Molecular Properties

Compound Name2H-furan-5,5-dicarbaldehyde
PubChem CID134539122
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name2H-furan-5,5-dicarbaldehyde
SMILESO=CC1(C=O)C=CCO1
InChIInChI=1S/C6H6O3/c7-4-6(5-8)2-1-3-9-6/h1-2,4-5H,3H2
InChIKeyAVWZBYIOQHRMNF-UHFFFAOYSA-N
XLogP-0.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2H-furan-5,5-dicarbaldehyde 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 2H-furan-5,5-dicarbaldehyde?
The IUPAC name of 2H-furan-5,5-dicarbaldehyde (CID 134539122) is 2H-furan-5,5-dicarbaldehyde.
What is the SMILES notation for 2H-furan-5,5-dicarbaldehyde?
The canonical SMILES for 2H-furan-5,5-dicarbaldehyde is O=CC1(C=O)C=CCO1.
What is the InChIKey of 2H-furan-5,5-dicarbaldehyde?
The InChIKey is AVWZBYIOQHRMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-4-6(5-8)2-1-3-9-6/h1-2,4-5H,3H2.
What are the key properties of 2H-furan-5,5-dicarbaldehyde?
2H-furan-5,5-dicarbaldehyde has a molecular weight of 126.11 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-furan-5,5-dicarbaldehyde is sourced from PubChem (CID 134539122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).