4-oxopyran-2,6-dicarbaldehyde

C7H4O4 — CID 12006526

IUPAC4-oxopyran-2,6-dicarbaldehyde
SMILESO=Cc1cc(=O)cc(C=O)o1
InChIInChI=1S/C7H4O4/c8-3-6-1-5(10)2-7(4-9)11-6/h1-4H
InChIKeyOQACSHVXMPRZDY-UHFFFAOYSA-N
MW152.10 g/mol
LogP0.26
Rot. Bonds2

About 4-oxopyran-2,6-dicarbaldehyde

4-oxopyran-2,6-dicarbaldehyde (PubChem CID 12006526) has the molecular formula C7H4O4 and a molecular weight of 152.10 g/mol. Its IUPAC name is 4-oxopyran-2,6-dicarbaldehyde.

Molecular Properties

Compound Name4-oxopyran-2,6-dicarbaldehyde
PubChem CID12006526
Molecular FormulaC7H4O4
Molecular Weight152.10 g/mol
Exact Mass152.01
IUPAC Name4-oxopyran-2,6-dicarbaldehyde
SMILESO=Cc1cc(=O)cc(C=O)o1
InChIInChI=1S/C7H4O4/c8-3-6-1-5(10)2-7(4-9)11-6/h1-4H
InChIKeyOQACSHVXMPRZDY-UHFFFAOYSA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-oxopyran-2,6-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 14263148
CID 14263148
CID 12006525
CID 12006525
CID 12524268
CID 12524268
CID 16108574
CID 16108574
CID 20528351
CID 20528351
CID 11116016
CID 11116016
CID 18721977
CID 18721977
CID 20188000
CID 20188000
CID 21792540
CID 21792540
CID 22404012
CID 22404012
CID 54241614
CID 54241614
CID 60132019
CID 60132019

Frequently Asked Questions

What is the IUPAC name of 4-oxopyran-2,6-dicarbaldehyde?
The IUPAC name of 4-oxopyran-2,6-dicarbaldehyde (CID 12006526) is 4-oxopyran-2,6-dicarbaldehyde.
What is the SMILES notation for 4-oxopyran-2,6-dicarbaldehyde?
The canonical SMILES for 4-oxopyran-2,6-dicarbaldehyde is O=Cc1cc(=O)cc(C=O)o1.
What is the InChIKey of 4-oxopyran-2,6-dicarbaldehyde?
The InChIKey is OQACSHVXMPRZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O4/c8-3-6-1-5(10)2-7(4-9)11-6/h1-4H.
What are the key properties of 4-oxopyran-2,6-dicarbaldehyde?
4-oxopyran-2,6-dicarbaldehyde has a molecular weight of 152.10 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyran-2,6-dicarbaldehyde is sourced from PubChem (CID 12006526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).