3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one

C15H24O2SSi2 — CID 164713970

IUPAC3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one
SMILESCC1(O[Si](C)(C)[Si](C)(C)C)CSc2ccccc2C1=O
InChIInChI=1S/C15H24O2SSi2/c1-15(17-20(5,6)19(2,3)4)11-18-13-10-8-7-9-12(13)14(15)16/h7-10H,11H2,1-6H3
InChIKeyNNVNLTLXCUWAFL-UHFFFAOYSA-N
MW324.59 g/mol
LogP4.37
Rot. Bonds3

About 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one

3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one (PubChem CID 164713970) has the molecular formula C15H24O2SSi2 and a molecular weight of 324.59 g/mol. Its IUPAC name is 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one.

Molecular Properties

Compound Name3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one
PubChem CID164713970
Molecular FormulaC15H24O2SSi2
Molecular Weight324.59 g/mol
Exact Mass324.10
IUPAC Name3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one
SMILESCC1(O[Si](C)(C)[Si](C)(C)C)CSc2ccccc2C1=O
InChIInChI=1S/C15H24O2SSi2/c1-15(17-20(5,6)19(2,3)4)11-18-13-10-8-7-9-12(13)14(15)16/h7-10H,11H2,1-6H3
InChIKeyNNVNLTLXCUWAFL-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-phenylsulfanylethanone
CID 13352517
2-Trimethylsilyloxy-4'-(methylthio)isobutyrophenone
CID 18400190
2-Methyl-3-methylsulfanyl-1-phenyl-2-trimethylsilyloxypropan-1-one
CID 19001343
2-(2-Methyl-2-trimethylsilyloxypropanoyl)thioxanthen-9-one
CID 20430067
2,7-Bis(2-methyl-2-trimethylsilyloxypropanoyl)thioxanthen-9-one
CID 20430174
butyl (3-methyl-1,1,4-trioxo-2H-thiochromen-3-yl) sulfite
CID 20695898
2-methyl-1-(10-oxo-9H-thioxanthen-2-yl)-2-trimethylsilyloxypropan-1-one
CID 70478072
2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one
CID 70478367
3-Prop-1-en-2-yloxy-2,3-dihydrothiochromen-4-one
CID 89190939
2-[Dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 153626565
2-[Dimethyl(trimethylsilyl)silyl]oxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
CID 156904427
2-Butyl-2,3-dihydrothiochromen-4-one;2-butyl-3-hydroxythiochromen-4-one
CID 161306770

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one?
The IUPAC name of 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one (CID 164713970) is 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one.
What is the SMILES notation for 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one?
The canonical SMILES for 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one is CC1(O[Si](C)(C)[Si](C)(C)C)CSc2ccccc2C1=O.
What is the InChIKey of 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one?
The InChIKey is NNVNLTLXCUWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2SSi2/c1-15(17-20(5,6)19(2,3)4)11-18-13-10-8-7-9-12(13)14(15)16/h7-10H,11H2,1-6H3.
What are the key properties of 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one?
3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one has a molecular weight of 324.59 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(trimethylsilyl)silyl]oxy-3-methyl-2H-thiochromen-4-one is sourced from PubChem (CID 164713970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).