6-trimethylsilylpyran-2-one

C8H12O2Si — CID 15468570

IUPAC6-trimethylsilylpyran-2-one
SMILESC[Si](C)(C)c1cccc(=O)o1
InChIInChI=1S/C8H12O2Si/c1-11(2,3)8-6-4-5-7(9)10-8/h4-6H,1-3H3
InChIKeyRRKONDUDFYAATL-UHFFFAOYSA-N
MW168.27 g/mol
LogP1.18
Rot. Bonds1

About 6-trimethylsilylpyran-2-one

6-trimethylsilylpyran-2-one (PubChem CID 15468570) has the molecular formula C8H12O2Si and a molecular weight of 168.27 g/mol. Its IUPAC name is 6-trimethylsilylpyran-2-one.

Molecular Properties

Compound Name6-trimethylsilylpyran-2-one
PubChem CID15468570
Molecular FormulaC8H12O2Si
Molecular Weight168.27 g/mol
Exact Mass168.06
IUPAC Name6-trimethylsilylpyran-2-one
SMILESC[Si](C)(C)c1cccc(=O)o1
InChIInChI=1S/C8H12O2Si/c1-11(2,3)8-6-4-5-7(9)10-8/h4-6H,1-3H3
InChIKeyRRKONDUDFYAATL-UHFFFAOYSA-N
XLogP1.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilylpyran-2-one?
The IUPAC name of 6-trimethylsilylpyran-2-one (CID 15468570) is 6-trimethylsilylpyran-2-one.
What is the SMILES notation for 6-trimethylsilylpyran-2-one?
The canonical SMILES for 6-trimethylsilylpyran-2-one is C[Si](C)(C)c1cccc(=O)o1.
What is the InChIKey of 6-trimethylsilylpyran-2-one?
The InChIKey is RRKONDUDFYAATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2Si/c1-11(2,3)8-6-4-5-7(9)10-8/h4-6H,1-3H3.
What are the key properties of 6-trimethylsilylpyran-2-one?
6-trimethylsilylpyran-2-one has a molecular weight of 168.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilylpyran-2-one is sourced from PubChem (CID 15468570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).