2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one

C41H91NO12SSi9 — CID 158229310

About 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one

2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one (PubChem CID 158229310) has the molecular formula C41H91NO12SSi9 and a molecular weight of 1075.01 g/mol. Its IUPAC name is 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one.

Molecular Properties

• Compound Name: 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one
• PubChem CID: 158229310
• Molecular Formula: C41H91NO12SSi9
• Molecular Weight: 1075.01 g/mol
• Exact Mass: 1073.42
• IUPAC Name: 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one
• SMILES: CCO[Si](CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCn1sc2ccccc2c1=O)O[Si](C)(C)O[Si](C)(CCCOCCO)O[Si](C)(CCC[Si](C)(C)C)O[Si](C)(C)C)(OCC)OCC
• InChI: InChI=1S/C41H91NO12SSi9/c1-19-46-64(47-20-2,48-21-3)37-26-36-61(16,50-58(10,11)12)54-63(18,38-29-42-41(44)39-27-22-23-28-40(39)55-42)52-59(13,14)51-62(17,34-24-31-45-32-30-43)53-60(15,49-57(7,8)9)35-25-33-56(4,5)6/h22-23,27-28,43H,19-21,24-26,29-38H2,1-18H3
• InChIKey: KXLVYRZYDZWEQQ-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 134.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.01
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one?

The IUPAC name of 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one (CID 158229310) is 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one.

What is the SMILES notation for 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one?

The canonical SMILES for 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one is CCO[Si](CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCn1sc2ccccc2c1=O)O[Si](C)(C)O[Si](C)(CCCOCCO)O[Si](C)(CCC[Si](C)(C)C)O[Si](C)(C)C)(OCC)OCC.

What is the InChIKey of 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one?

The InChIKey is KXLVYRZYDZWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H91NO12SSi9/c1-19-46-64(47-20-2,48-21-3)37-26-36-61(16,50-58(10,11)12)54-63(18,38-29-42-41(44)39-27-22-23-28-40(39)55-42)52-59(13,14)51-62(17,34-24-31-45-32-30-43)53-60(15,49-57(7,8)9)35-25-33-56(4,5)6/h22-23,27-28,43H,19-21,24-26,29-38H2,1-18H3.

What are the key properties of 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one?

2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one has a molecular weight of 1075.01 g/mol, XLogP of 11.39, 35 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[[3-(2-hydroxyethoxy)propyl-methyl-[methyl-trimethylsilyloxy-(3-trimethylsilylpropyl)silyl]oxysilyl]oxy-dimethylsilyl]oxy-methyl-[methyl-(3-triethoxysilylpropyl)-trimethylsilyloxysilyl]oxysilyl]ethyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 158229310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).