5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one

C16H24O3Si — CID 102464621

IUPAC5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one
SMILESCC(=O)c1cc(C)c(=O)oc1/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24O3Si/c1-11-10-13(12(2)17)14(19-15(11)18)8-9-20(6,7)16(3,4)5/h8-10H,1-7H3/b9-8+
InChIKeyYQICHNRUZSSASH-CMDGGOBGSA-N
MW292.45 g/mol
LogP4.21
Rot. Bonds3

About 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one

5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one (PubChem CID 102464621) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one.

Molecular Properties

Compound Name5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one
PubChem CID102464621
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one
SMILESCC(=O)c1cc(C)c(=O)oc1/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24O3Si/c1-11-10-13(12(2)17)14(19-15(11)18)8-9-20(6,7)16(3,4)5/h8-10H,1-7H3/b9-8+
InChIKeyYQICHNRUZSSASH-CMDGGOBGSA-N
XLogP4.21
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.21
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 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one?
The IUPAC name of 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one (CID 102464621) is 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one.
What is the SMILES notation for 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one?
The canonical SMILES for 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one is CC(=O)c1cc(C)c(=O)oc1/C=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one?
The InChIKey is YQICHNRUZSSASH-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-11-10-13(12(2)17)14(19-15(11)18)8-9-20(6,7)16(3,4)5/h8-10H,1-7H3/b9-8+.
What are the key properties of 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one?
5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one has a molecular weight of 292.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-[(E)-2-[tert-butyl(dimethyl)silyl]ethenyl]-3-methylpyran-2-one is sourced from PubChem (CID 102464621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).