(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane

C12H16O3SSi — CID 22091918

IUPAC(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane
SMILESC[Si](C)(C)COc1cccc2c1C=CS2(=O)=O
InChIInChI=1S/C12H16O3SSi/c1-17(2,3)9-15-11-5-4-6-12-10(11)7-8-16(12,13)14/h4-8H,9H2,1-3H3
InChIKeyGVAOJJQIGQJWPG-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.70
Rot. Bonds3

About (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane

(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane (PubChem CID 22091918) has the molecular formula C12H16O3SSi and a molecular weight of 268.41 g/mol. Its IUPAC name is (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane.

Molecular Properties

Compound Name(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane
PubChem CID22091918
Molecular FormulaC12H16O3SSi
Molecular Weight268.41 g/mol
Exact Mass268.06
IUPAC Name(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane
SMILESC[Si](C)(C)COc1cccc2c1C=CS2(=O)=O
InChIInChI=1S/C12H16O3SSi/c1-17(2,3)9-15-11-5-4-6-12-10(11)7-8-16(12,13)14/h4-8H,9H2,1-3H3
InChIKeyGVAOJJQIGQJWPG-UHFFFAOYSA-N
XLogP2.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.70
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 (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane?
The IUPAC name of (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane (CID 22091918) is (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane.
What is the SMILES notation for (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane?
The canonical SMILES for (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane is C[Si](C)(C)COc1cccc2c1C=CS2(=O)=O.
What is the InChIKey of (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane?
The InChIKey is GVAOJJQIGQJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3SSi/c1-17(2,3)9-15-11-5-4-6-12-10(11)7-8-16(12,13)14/h4-8H,9H2,1-3H3.
What are the key properties of (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane?
(1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane has a molecular weight of 268.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1-benzothiophen-4-yl)oxymethyl-trimethylsilane is sourced from PubChem (CID 22091918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).