5,5,6,6-tetramethylpyran-2-one

C₉H₁₄O₂ — CID 141046909

About 5,5,6,6-tetramethylpyran-2-one

5,5,6,6-tetramethylpyran-2-one (PubChem CID 141046909) has the molecular formula C₉H₁₄O₂ and a molecular weight of 154.21 g/mol. Its IUPAC name is 5,5,6,6-tetramethylpyran-2-one.

Molecular Properties

• Compound Name: 5,5,6,6-tetramethylpyran-2-one
• PubChem CID: 141046909
• Molecular Formula: C₉H₁₄O₂
• Molecular Weight: 154.21 g/mol
• Exact Mass: 154.10
• IUPAC Name: 5,5,6,6-tetramethylpyran-2-one
• SMILES: CC1(C)C=CC(=O)OC1(C)C
• InChI: InChI=1S/C9H14O2/c1-8(2)6-5-7(10)11-9(8,3)4/h5-6H,1-4H3
• InChIKey: KMOCNKNXBYPMFI-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.21
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethylpyran-2-one?

The IUPAC name of 5,5,6,6-tetramethylpyran-2-one (CID 141046909) is 5,5,6,6-tetramethylpyran-2-one.

What is the SMILES notation for 5,5,6,6-tetramethylpyran-2-one?

The canonical SMILES for 5,5,6,6-tetramethylpyran-2-one is CC1(C)C=CC(=O)OC1(C)C.

What is the InChIKey of 5,5,6,6-tetramethylpyran-2-one?

The InChIKey is KMOCNKNXBYPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2)6-5-7(10)11-9(8,3)4/h5-6H,1-4H3.

What are the key properties of 5,5,6,6-tetramethylpyran-2-one?

5,5,6,6-tetramethylpyran-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,6,6-tetramethylpyran-2-one is sourced from PubChem (CID 141046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141046909 — identifiers, structure, computed properties (public domain)

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