6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one

C11H14O2Si — CID 11401497

IUPAC6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one
SMILESCc1cc(C#C[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C11H14O2Si/c1-9-7-10(8-11(12)13-9)5-6-14(2,3)4/h7-8H,1-4H3
InChIKeyILCXSMZNUMWWDF-UHFFFAOYSA-N
MW206.32 g/mol
LogP2.18
Rot. Bonds

About 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one

6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one (PubChem CID 11401497) has the molecular formula C11H14O2Si and a molecular weight of 206.32 g/mol. Its IUPAC name is 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one
PubChem CID11401497
Molecular FormulaC11H14O2Si
Molecular Weight206.32 g/mol
Exact Mass206.08
IUPAC Name6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one
SMILESCc1cc(C#C[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C11H14O2Si/c1-9-7-10(8-11(12)13-9)5-6-14(2,3)4/h7-8H,1-4H3
InChIKeyILCXSMZNUMWWDF-UHFFFAOYSA-N
XLogP2.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one?
The IUPAC name of 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one (CID 11401497) is 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one.
What is the SMILES notation for 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one?
The canonical SMILES for 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one is Cc1cc(C#C[Si](C)(C)C)cc(=O)o1.
What is the InChIKey of 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one?
The InChIKey is ILCXSMZNUMWWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2Si/c1-9-7-10(8-11(12)13-9)5-6-14(2,3)4/h7-8H,1-4H3.
What are the key properties of 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one?
6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one has a molecular weight of 206.32 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-trimethylsilylethynyl)pyran-2-one is sourced from PubChem (CID 11401497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).