2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one

C14H22O2SSi — CID 18400190

IUPAC2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one
SMILESCSc1ccc(C(=O)C(C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C14H22O2SSi/c1-14(2,16-18(4,5)6)13(15)11-7-9-12(17-3)10-8-11/h7-10H,1-6H3
InChIKeyITRAFVXDRJVJPX-UHFFFAOYSA-N
MW282.48 g/mol
LogP4.22
Rot. Bonds5

About 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one

2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one (PubChem CID 18400190) has the molecular formula C14H22O2SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one
PubChem CID18400190
Molecular FormulaC14H22O2SSi
Molecular Weight282.48 g/mol
Exact Mass282.11
IUPAC Name2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one
SMILESCSc1ccc(C(=O)C(C)(C)O[Si](C)(C)C)cc1
InChIInChI=1S/C14H22O2SSi/c1-14(2,16-18(4,5)6)13(15)11-7-9-12(17-3)10-8-11/h7-10H,1-6H3
InChIKeyITRAFVXDRJVJPX-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.22
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 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one (CID 18400190) is 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one is CSc1ccc(C(=O)C(C)(C)O[Si](C)(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one?
The InChIKey is ITRAFVXDRJVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2SSi/c1-14(2,16-18(4,5)6)13(15)11-7-9-12(17-3)10-8-11/h7-10H,1-6H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one?
2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one has a molecular weight of 282.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylphenyl)-2-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 18400190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).