4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium

C14H16O2+2 — CID 22959935

IUPAC4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium
SMILESCc1cc(-c2cc(C)[o+]c(C)c2)cc(C)[o+]1
InChIInChI=1S/C14H16O2/c1-9-5-13(6-10(2)15-9)14-7-11(3)16-12(4)8-14/h5-8H,1-4H3/q+2
InChIKeyCRKJRKNZKRHWAI-UHFFFAOYSA-N
MW216.28 g/mol
LogP4.34
Rot. Bonds1

About 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium

4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium (PubChem CID 22959935) has the molecular formula C14H16O2+2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium.

Molecular Properties

Compound Name4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium
PubChem CID22959935
Molecular FormulaC14H16O2+2
Molecular Weight216.28 g/mol
Exact Mass216.11
IUPAC Name4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium
SMILESCc1cc(-c2cc(C)[o+]c(C)c2)cc(C)[o+]1
InChIInChI=1S/C14H16O2/c1-9-5-13(6-10(2)15-9)14-7-11(3)16-12(4)8-14/h5-8H,1-4H3/q+2
InChIKeyCRKJRKNZKRHWAI-UHFFFAOYSA-N
XLogP4.34
TPSA22.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium 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 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium?
The IUPAC name of 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium (CID 22959935) is 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium.
What is the SMILES notation for 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium?
The canonical SMILES for 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium is Cc1cc(-c2cc(C)[o+]c(C)c2)cc(C)[o+]1.
What is the InChIKey of 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium?
The InChIKey is CRKJRKNZKRHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-5-13(6-10(2)15-9)14-7-11(3)16-12(4)8-14/h5-8H,1-4H3/q+2.
What are the key properties of 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium?
4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium has a molecular weight of 216.28 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpyrylium-4-yl)-2,6-dimethylpyrylium is sourced from PubChem (CID 22959935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).