1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone

C12H18O2Si — CID 610037

IUPAC1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cc(C)ccc1O[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-9-6-7-12(14-15(3,4)5)11(8-9)10(2)13/h6-8H,1-5H3
InChIKeyLZFQRXBEWMGXCV-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.41
Rot. Bonds3

About 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone

1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone (PubChem CID 610037) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone
PubChem CID610037
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone
SMILESCC(=O)c1cc(C)ccc1O[Si](C)(C)C
InChIInChI=1S/C12H18O2Si/c1-9-6-7-12(14-15(3,4)5)11(8-9)10(2)13/h6-8H,1-5H3
InChIKeyLZFQRXBEWMGXCV-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.41
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 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone?
The IUPAC name of 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone (CID 610037) is 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone?
The canonical SMILES for 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone is CC(=O)c1cc(C)ccc1O[Si](C)(C)C.
What is the InChIKey of 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone?
The InChIKey is LZFQRXBEWMGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2Si/c1-9-6-7-12(14-15(3,4)5)11(8-9)10(2)13/h6-8H,1-5H3.
What are the key properties of 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone?
1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone has a molecular weight of 222.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-trimethylsilyloxyphenyl)ethanone is sourced from PubChem (CID 610037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).