2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one

C16H28O2SSi2 — CID 156904427

IUPAC2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(C(=O)C(C)(C)O[Si](C)(C)[Si](C)(C)C)cc1
InChIInChI=1S/C16H28O2SSi2/c1-16(2,18-21(7,8)20(4,5)6)15(17)13-9-11-14(19-3)12-10-13/h9-12H,1-8H3
InChIKeyMGDKIWAQGLSUCA-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.01
Rot. Bonds6

About 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one

2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one (PubChem CID 156904427) has the molecular formula C16H28O2SSi2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
PubChem CID156904427
Molecular FormulaC16H28O2SSi2
Molecular Weight340.64 g/mol
Exact Mass340.13
IUPAC Name2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(C(=O)C(C)(C)O[Si](C)(C)[Si](C)(C)C)cc1
InChIInChI=1S/C16H28O2SSi2/c1-16(2,18-21(7,8)20(4,5)6)15(17)13-9-11-14(19-3)12-10-13/h9-12H,1-8H3
InChIKeyMGDKIWAQGLSUCA-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.01
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-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one (CID 156904427) is 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one is CSc1ccc(C(=O)C(C)(C)O[Si](C)(C)[Si](C)(C)C)cc1.
What is the InChIKey of 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one?
The InChIKey is MGDKIWAQGLSUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2SSi2/c1-16(2,18-21(7,8)20(4,5)6)15(17)13-9-11-14(19-3)12-10-13/h9-12H,1-8H3.
What are the key properties of 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one?
2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one has a molecular weight of 340.64 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 156904427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).