2,3,6-trimethylpyrylium

C8H11O+ — CID 56620533

IUPAC2,3,6-trimethylpyrylium
SMILESCc1ccc(C)c(C)[o+]1
InChIInChI=1S/C8H11O/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3/q+1
InChIKeyRCUGAKMAZIRTEJ-UHFFFAOYSA-N
MW123.17 g/mol
LogP2.49
Rot. Bonds

About 2,3,6-trimethylpyrylium

2,3,6-trimethylpyrylium (PubChem CID 56620533) has the molecular formula C8H11O+ and a molecular weight of 123.17 g/mol. Its IUPAC name is 2,3,6-trimethylpyrylium.

Molecular Properties

Compound Name2,3,6-trimethylpyrylium
PubChem CID56620533
Molecular FormulaC8H11O+
Molecular Weight123.17 g/mol
Exact Mass123.08
IUPAC Name2,3,6-trimethylpyrylium
SMILESCc1ccc(C)c(C)[o+]1
InChIInChI=1S/C8H11O/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3/q+1
InChIKeyRCUGAKMAZIRTEJ-UHFFFAOYSA-N
XLogP2.49
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 52.49
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 2,3,6-trimethylpyrylium?
The IUPAC name of 2,3,6-trimethylpyrylium (CID 56620533) is 2,3,6-trimethylpyrylium.
What is the SMILES notation for 2,3,6-trimethylpyrylium?
The canonical SMILES for 2,3,6-trimethylpyrylium is Cc1ccc(C)c(C)[o+]1.
What is the InChIKey of 2,3,6-trimethylpyrylium?
The InChIKey is RCUGAKMAZIRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O/c1-6-4-5-7(2)9-8(6)3/h4-5H,1-3H3/q+1.
What are the key properties of 2,3,6-trimethylpyrylium?
2,3,6-trimethylpyrylium has a molecular weight of 123.17 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylpyrylium is sourced from PubChem (CID 56620533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).