4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium

C37H100O5Si5WY — CID 159333397

About 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium

4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium (PubChem CID 159333397) has the molecular formula C37H100O5Si5WY and a molecular weight of 1038.38 g/mol. Its IUPAC name is 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium.

Molecular Properties

• Compound Name: 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium
• PubChem CID: 159333397
• Molecular Formula: C37H100O5Si5WY
• Molecular Weight: 1038.38 g/mol
• Exact Mass: 1037.50
• IUPAC Name: 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium
• SMILES: C.C.C.C.C.C.C.CCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCCO)O[Si](C)(C)O[Si](C)(C)C.[W].[Y]
• InChI: InChI=1S/C30H72O5Si5.7CH4.W.Y/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-39(10,33-37(5,6)7)35-40(11,30-27-25-28-31)34-38(8,9)32-36(2,3)4;;;;;;;;;/h31H,12-30H2,1-11H3;7*1H4
• InChIKey: LFFPYPZBXTTYKU-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 27
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1038.38
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium?

The IUPAC name of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium (CID 159333397) is 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium.

What is the SMILES notation for 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium?

The canonical SMILES for 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium is C.C.C.C.C.C.C.CCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCCO)O[Si](C)(C)O[Si](C)(C)C.[W].[Y].

What is the InChIKey of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium?

The InChIKey is LFFPYPZBXTTYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H72O5Si5.7CH4.W.Y/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-39(10,33-37(5,6)7)35-40(11,30-27-25-28-31)34-38(8,9)32-36(2,3)4;;;;;;;;;/h31H,12-30H2,1-11H3;7*1H4;;.

What are the key properties of 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium?

4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium has a molecular weight of 1038.38 g/mol, XLogP of 15.27, 27 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium is sourced from PubChem (CID 159333397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).