4-hydroxy-6-trimethylsilylpyran-2-one

C8H12O3Si — CID 102291772

IUPAC4-hydroxy-6-trimethylsilylpyran-2-one
SMILESC[Si](C)(C)c1cc(O)cc(=O)o1
InChIInChI=1S/C8H12O3Si/c1-12(2,3)8-5-6(9)4-7(10)11-8/h4-5,9H,1-3H3
InChIKeyXIXHCVDXFCAGKM-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.89
Rot. Bonds1

About 4-hydroxy-6-trimethylsilylpyran-2-one

4-hydroxy-6-trimethylsilylpyran-2-one (PubChem CID 102291772) has the molecular formula C8H12O3Si and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-hydroxy-6-trimethylsilylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-trimethylsilylpyran-2-one
PubChem CID102291772
Molecular FormulaC8H12O3Si
Molecular Weight184.27 g/mol
Exact Mass184.06
IUPAC Name4-hydroxy-6-trimethylsilylpyran-2-one
SMILESC[Si](C)(C)c1cc(O)cc(=O)o1
InChIInChI=1S/C8H12O3Si/c1-12(2,3)8-5-6(9)4-7(10)11-8/h4-5,9H,1-3H3
InChIKeyXIXHCVDXFCAGKM-UHFFFAOYSA-N
XLogP0.89
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(e)-4-Hydroxy-6-propenyl-2-pyrone
CID 54733183
4-Hydroxy-6-prop-1-enylpyran-2-one
CID 76213211
6-Methyl-4-trimethylsilyloxypyran-2-one
CID 13679171
6-Methyl-4-trimethylsilylpyran-2-one
CID 12140105
6-[[Butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyran-2-one
CID 54734627
Ethane;4-hydroxy-6-methylpyran-2-one
CID 143817051
4-Methoxy-6-methyl-3-trimethylsilylpyran-2-one
CID 11241323
6-Trimethylsilylpyran-2-one
CID 15468570
6-[2-[Tert-butyl(dimethyl)silyl]ethynyl]-4-hydroxypyran-2-one
CID 54711936
4-Methoxy-6-(trimethylsilylmethyl)pyran-2-one
CID 101008331
4-Methoxy-6-(triethylsilylmethyl)pyran-2-one
CID 101008332

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-trimethylsilylpyran-2-one?
The IUPAC name of 4-hydroxy-6-trimethylsilylpyran-2-one (CID 102291772) is 4-hydroxy-6-trimethylsilylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-trimethylsilylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-trimethylsilylpyran-2-one is C[Si](C)(C)c1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-trimethylsilylpyran-2-one?
The InChIKey is XIXHCVDXFCAGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3Si/c1-12(2,3)8-5-6(9)4-7(10)11-8/h4-5,9H,1-3H3.
What are the key properties of 4-hydroxy-6-trimethylsilylpyran-2-one?
4-hydroxy-6-trimethylsilylpyran-2-one has a molecular weight of 184.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-trimethylsilylpyran-2-one is sourced from PubChem (CID 102291772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).