2,4,6-triethylpyrylium

C11H17O+ — CID 4610662

IUPAC2,4,6-triethylpyrylium
SMILESCCc1cc(CC)[o+]c(CC)c1
InChIInChI=1S/C11H17O/c1-4-9-7-10(5-2)12-11(6-3)8-9/h7-8H,4-6H2,1-3H3/q+1
InChIKeyAZBIKLOVYDGMEP-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.25
Rot. Bonds3

About 2,4,6-triethylpyrylium

2,4,6-triethylpyrylium (PubChem CID 4610662) has the molecular formula C11H17O+ and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,4,6-triethylpyrylium.

Molecular Properties

Compound Name2,4,6-triethylpyrylium
PubChem CID4610662
Molecular FormulaC11H17O+
Molecular Weight165.26 g/mol
Exact Mass165.13
IUPAC Name2,4,6-triethylpyrylium
SMILESCCc1cc(CC)[o+]c(CC)c1
InChIInChI=1S/C11H17O/c1-4-9-7-10(5-2)12-11(6-3)8-9/h7-8H,4-6H2,1-3H3/q+1
InChIKeyAZBIKLOVYDGMEP-UHFFFAOYSA-N
XLogP3.25
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethylpyrylium?
The IUPAC name of 2,4,6-triethylpyrylium (CID 4610662) is 2,4,6-triethylpyrylium.
What is the SMILES notation for 2,4,6-triethylpyrylium?
The canonical SMILES for 2,4,6-triethylpyrylium is CCc1cc(CC)[o+]c(CC)c1.
What is the InChIKey of 2,4,6-triethylpyrylium?
The InChIKey is AZBIKLOVYDGMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O/c1-4-9-7-10(5-2)12-11(6-3)8-9/h7-8H,4-6H2,1-3H3/q+1.
What are the key properties of 2,4,6-triethylpyrylium?
2,4,6-triethylpyrylium has a molecular weight of 165.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethylpyrylium is sourced from PubChem (CID 4610662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).