4-methoxy-6-(triethylsilylmethyl)pyran-2-one

C13H22O3Si — CID 101008332

IUPAC4-methoxy-6-(triethylsilylmethyl)pyran-2-one
SMILESCC[Si](CC)(CC)Cc1cc(OC)cc(=O)o1
InChIInChI=1S/C13H22O3Si/c1-5-17(6-2,7-3)10-12-8-11(15-4)9-13(14)16-12/h8-9H,5-7,10H2,1-4H3
InChIKeyGHJJEHVEVIGTRQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.24
Rot. Bonds6

About 4-methoxy-6-(triethylsilylmethyl)pyran-2-one

4-methoxy-6-(triethylsilylmethyl)pyran-2-one (PubChem CID 101008332) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-methoxy-6-(triethylsilylmethyl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-(triethylsilylmethyl)pyran-2-one
PubChem CID101008332
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name4-methoxy-6-(triethylsilylmethyl)pyran-2-one
SMILESCC[Si](CC)(CC)Cc1cc(OC)cc(=O)o1
InChIInChI=1S/C13H22O3Si/c1-5-17(6-2,7-3)10-12-8-11(15-4)9-13(14)16-12/h8-9H,5-7,10H2,1-4H3
InChIKeyGHJJEHVEVIGTRQ-UHFFFAOYSA-N
XLogP3.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methoxy-6-(triethylsilylmethyl)pyran-2-one?
The IUPAC name of 4-methoxy-6-(triethylsilylmethyl)pyran-2-one (CID 101008332) is 4-methoxy-6-(triethylsilylmethyl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-(triethylsilylmethyl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-(triethylsilylmethyl)pyran-2-one is CC[Si](CC)(CC)Cc1cc(OC)cc(=O)o1.
What is the InChIKey of 4-methoxy-6-(triethylsilylmethyl)pyran-2-one?
The InChIKey is GHJJEHVEVIGTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-5-17(6-2,7-3)10-12-8-11(15-4)9-13(14)16-12/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 4-methoxy-6-(triethylsilylmethyl)pyran-2-one?
4-methoxy-6-(triethylsilylmethyl)pyran-2-one has a molecular weight of 254.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(triethylsilylmethyl)pyran-2-one is sourced from PubChem (CID 101008332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).