5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate

C19H47O6Si5- — CID 20588934

About 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate

5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate (PubChem CID 20588934) has the molecular formula C19H47O6Si5- and a molecular weight of 512.01 g/mol. Its IUPAC name is 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate.

Molecular Properties

• Compound Name: 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
• PubChem CID: 20588934
• Molecular Formula: C19H47O6Si5-
• Molecular Weight: 512.01 g/mol
• Exact Mass: 511.22
• IUPAC Name: 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate
• SMILES: CCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCCC(=O)[O-])O[Si](C)(C)C
• InChI: InChI=1S/C19H48O6Si5/c1-12-13-17-30(11,24-28(8,9)22-26(2,3)4)25-29(10,23-27(5,6)7)18-15-14-16-19(20)21/h12-18H2,1-11H3,(H,20,21)/p-1
• InChIKey: UPJFKOSSYONNRL-UHFFFAOYSA-M
• XLogP: 5.29
• TPSA: 77.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.01
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?

The IUPAC name of 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate (CID 20588934) is 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate.

What is the SMILES notation for 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?

The canonical SMILES for 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate is CCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCCC(=O)[O-])O[Si](C)(C)C.

What is the InChIKey of 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?

The InChIKey is UPJFKOSSYONNRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H48O6Si5/c1-12-13-17-30(11,24-28(8,9)22-26(2,3)4)25-29(10,23-27(5,6)7)18-15-14-16-19(20)21/h12-18H2,1-11H3,(H,20,21)/p-1.

What are the key properties of 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate?

5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate has a molecular weight of 512.01 g/mol, XLogP of 5.29, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[butyl-[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]pentanoate is sourced from PubChem (CID 20588934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).