1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone

C16H22O2SSi — CID 58047585

IUPAC1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(O[Si](C)(C)C(C)(C)C)cc2s1
InChIInChI=1S/C16H22O2SSi/c1-11(17)14-9-12-7-8-13(10-15(12)19-14)18-20(5,6)16(2,3)4/h7-10H,1-6H3
InChIKeyWMXKVWHPHODQNK-UHFFFAOYSA-N
MW306.50 g/mol
LogP5.49
Rot. Bonds3

About 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone

1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone (PubChem CID 58047585) has the molecular formula C16H22O2SSi and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone
PubChem CID58047585
Molecular FormulaC16H22O2SSi
Molecular Weight306.50 g/mol
Exact Mass306.11
IUPAC Name1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(O[Si](C)(C)C(C)(C)C)cc2s1
InChIInChI=1S/C16H22O2SSi/c1-11(17)14-9-12-7-8-13(10-15(12)19-14)18-20(5,6)16(2,3)4/h7-10H,1-6H3
InChIKeyWMXKVWHPHODQNK-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 55.49
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 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone?
The IUPAC name of 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone (CID 58047585) is 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone?
The canonical SMILES for 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone is CC(=O)c1cc2ccc(O[Si](C)(C)C(C)(C)C)cc2s1.
What is the InChIKey of 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone?
The InChIKey is WMXKVWHPHODQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2SSi/c1-11(17)14-9-12-7-8-13(10-15(12)19-14)18-20(5,6)16(2,3)4/h7-10H,1-6H3.
What are the key properties of 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone?
1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone has a molecular weight of 306.50 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-2-yl]ethanone is sourced from PubChem (CID 58047585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).