4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane

C20H51BrO2Si4 — CID 161242476

About 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane

4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane (PubChem CID 161242476) has the molecular formula C20H51BrO2Si4 and a molecular weight of 515.87 g/mol. Its IUPAC name is 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane.

Molecular Properties

• Compound Name: 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane
• PubChem CID: 161242476
• Molecular Formula: C20H51BrO2Si4
• Molecular Weight: 515.87 g/mol
• Exact Mass: 514.21
• IUPAC Name: 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane
• SMILES: CCCC[Si](C)(C)O[SiH](C)C.CCCC[Si](C)(C)O[Si](C)(C)CCCCBr
• InChI: InChI=1S/C12H29BrOSi2.C8H22OSi2/c1-6-7-11-15(2,3)14-16(4,5)12-9-8-10-13;1-6-7-8-11(4,5)9-10(2)3/h6-12H2,1-5H3;10H,6-8H2,1-5H3
• InChIKey: VAESQSMCLOBEHN-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.87
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane?

The IUPAC name of 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane (CID 161242476) is 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane.

What is the SMILES notation for 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane?

The canonical SMILES for 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane is CCCC[Si](C)(C)O[SiH](C)C.CCCC[Si](C)(C)O[Si](C)(C)CCCCBr.

What is the InChIKey of 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane?

The InChIKey is VAESQSMCLOBEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29BrOSi2.C8H22OSi2/c1-6-7-11-15(2,3)14-16(4,5)12-9-8-10-13;1-6-7-8-11(4,5)9-10(2)3/h6-12H2,1-5H3;10H,6-8H2,1-5H3.

What are the key properties of 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane?

4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane has a molecular weight of 515.87 g/mol, XLogP of 8.38, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromobutyl-[butyl(dimethyl)silyl]oxy-dimethylsilane;butyl-dimethylsilyloxy-dimethylsilane is sourced from PubChem (CID 161242476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).