2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one

C42H96O12Si8 — CID 159463801

About 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one

2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one (PubChem CID 159463801) has the molecular formula C42H96O12Si8 and a molecular weight of 1017.91 g/mol. Its IUPAC name is 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one.

Molecular Properties

• Compound Name: 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one
• PubChem CID: 159463801
• Molecular Formula: C42H96O12Si8
• Molecular Weight: 1017.91 g/mol
• Exact Mass: 1016.51
• IUPAC Name: 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one
• SMILES: CCO[Si](CCC[Si](C)(O[Si](C)(CCCCCCCCC1C=CC(=O)O1)O[Si](C)(C)C)O[Si](C)(CCC[Si](C)(C)C)O[Si](C)(CCCOCCO)O[Si](C)(C)C)(OCC)OCC
• InChI: InChI=1S/C42H96O12Si8/c1-17-46-62(47-18-2,48-19-3)40-28-39-61(16,52-58(13,50-56(7,8)9)36-25-23-21-20-22-24-29-41-30-31-42(44)49-41)54-60(15,38-27-35-55(4,5)6)53-59(14,51-57(10,11)12)37-26-33-45-34-32-43/h30-31,41,43H,17-29,32-40H2,1-16H3
• InChIKey: LUXQHFJWBKIENK-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 129.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 39
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.91
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one?

The IUPAC name of 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one (CID 159463801) is 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one.

What is the SMILES notation for 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one?

The canonical SMILES for 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one is CCO[Si](CCC[Si](C)(O[Si](C)(CCCCCCCCC1C=CC(=O)O1)O[Si](C)(C)C)O[Si](C)(CCC[Si](C)(C)C)O[Si](C)(CCCOCCO)O[Si](C)(C)C)(OCC)OCC.

What is the InChIKey of 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one?

The InChIKey is LUXQHFJWBKIENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H96O12Si8/c1-17-46-62(47-18-2,48-19-3)40-28-39-61(16,52-58(13,50-56(7,8)9)36-25-23-21-20-22-24-29-41-30-31-42(44)49-41)54-60(15,38-27-35-55(4,5)6)53-59(14,51-57(10,11)12)37-26-33-45-34-32-43/h30-31,41,43H,17-29,32-40H2,1-16H3.

What are the key properties of 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one?

2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one has a molecular weight of 1017.91 g/mol, XLogP of 11.81, 39 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one is sourced from PubChem (CID 159463801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).