tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane

C24H36O2SSi — CID 15547435

About tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane

tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane (PubChem CID 15547435) has the molecular formula C24H36O2SSi and a molecular weight of 416.70 g/mol. Its IUPAC name is tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane
• PubChem CID: 15547435
• Molecular Formula: C24H36O2SSi
• Molecular Weight: 416.70 g/mol
• Exact Mass: 416.22
• IUPAC Name: tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane
• SMILES: CC(C)(C)C1=C(c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3s2)OCC1(C)C
• InChI: InChI=1S/C24H36O2SSi/c1-22(2,3)21-20(25-15-24(21,7)8)19-14-16-13-17(11-12-18(16)27-19)26-28(9,10)23(4,5)6/h11-14H,15H2,1-10H3
• InChIKey: OBFYCIMXMILVHT-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 18.46 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.70
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane (CID 15547435) is tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane is CC(C)(C)C1=C(c2cc3cc(O[Si](C)(C)C(C)(C)C)ccc3s2)OCC1(C)C.

What is the InChIKey of tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane?

The InChIKey is OBFYCIMXMILVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2SSi/c1-22(2,3)21-20(25-15-24(21,7)8)19-14-16-13-17(11-12-18(16)27-19)26-28(9,10)23(4,5)6/h11-14H,15H2,1-10H3.

What are the key properties of tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane?

tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane has a molecular weight of 416.70 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-1-benzothiophen-5-yl]oxy]-dimethylsilane is sourced from PubChem (CID 15547435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).