2,6-dimethylpyrylium

C7H9O+ — CID 3763156

IUPAC2,6-dimethylpyrylium
SMILESCc1cccc(C)[o+]1
InChIInChI=1S/C7H9O/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3/q+1
InChIKeyAMDMKDYOYXQSMN-UHFFFAOYSA-N
MW109.15 g/mol
LogP2.18
Rot. Bonds

About 2,6-dimethylpyrylium

2,6-dimethylpyrylium (PubChem CID 3763156) has the molecular formula C7H9O+ and a molecular weight of 109.15 g/mol. Its IUPAC name is 2,6-dimethylpyrylium.

Molecular Properties

Compound Name2,6-dimethylpyrylium
PubChem CID3763156
Molecular FormulaC7H9O+
Molecular Weight109.15 g/mol
Exact Mass109.06
IUPAC Name2,6-dimethylpyrylium
SMILESCc1cccc(C)[o+]1
InChIInChI=1S/C7H9O/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3/q+1
InChIKeyAMDMKDYOYXQSMN-UHFFFAOYSA-N
XLogP2.18
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 52.18
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 2,6-dimethylpyrylium?
The IUPAC name of 2,6-dimethylpyrylium (CID 3763156) is 2,6-dimethylpyrylium.
What is the SMILES notation for 2,6-dimethylpyrylium?
The canonical SMILES for 2,6-dimethylpyrylium is Cc1cccc(C)[o+]1.
What is the InChIKey of 2,6-dimethylpyrylium?
The InChIKey is AMDMKDYOYXQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3/q+1.
What are the key properties of 2,6-dimethylpyrylium?
2,6-dimethylpyrylium has a molecular weight of 109.15 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrylium is sourced from PubChem (CID 3763156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).