3H-furan-2,2-dicarbaldehyde

C6H6O3 — CID 175668219

IUPAC3H-furan-2,2-dicarbaldehyde
SMILESO=CC1(C=O)CC=CO1
InChIInChI=1S/C6H6O3/c7-4-6(5-8)2-1-3-9-6/h1,3-5H,2H2
InChIKeyBSRXVZWEMUXEKE-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.06
Rot. Bonds2

About 3H-furan-2,2-dicarbaldehyde

3H-furan-2,2-dicarbaldehyde (PubChem CID 175668219) has the molecular formula C6H6O3 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3H-furan-2,2-dicarbaldehyde.

Molecular Properties

Compound Name3H-furan-2,2-dicarbaldehyde
PubChem CID175668219
Molecular FormulaC6H6O3
Molecular Weight126.11 g/mol
Exact Mass126.03
IUPAC Name3H-furan-2,2-dicarbaldehyde
SMILESO=CC1(C=O)CC=CO1
InChIInChI=1S/C6H6O3/c7-4-6(5-8)2-1-3-9-6/h1,3-5H,2H2
InChIKeyBSRXVZWEMUXEKE-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 3H-furan-2,2-dicarbaldehyde?
The IUPAC name of 3H-furan-2,2-dicarbaldehyde (CID 175668219) is 3H-furan-2,2-dicarbaldehyde.
What is the SMILES notation for 3H-furan-2,2-dicarbaldehyde?
The canonical SMILES for 3H-furan-2,2-dicarbaldehyde is O=CC1(C=O)CC=CO1.
What is the InChIKey of 3H-furan-2,2-dicarbaldehyde?
The InChIKey is BSRXVZWEMUXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3/c7-4-6(5-8)2-1-3-9-6/h1,3-5H,2H2.
What are the key properties of 3H-furan-2,2-dicarbaldehyde?
3H-furan-2,2-dicarbaldehyde has a molecular weight of 126.11 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furan-2,2-dicarbaldehyde is sourced from PubChem (CID 175668219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).