3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen

C16H41NO3Si4 — CID 158811260

About 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen

3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen (PubChem CID 158811260) has the molecular formula C16H41NO3Si4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen
• PubChem CID: 158811260
• Molecular Formula: C16H41NO3Si4
• Molecular Weight: 407.85 g/mol
• Exact Mass: 407.22
• IUPAC Name: 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen
• SMILES: C#C[Si](C)(O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCN.[H][H]
• InChI: InChI=1S/C16H39NO3Si4.H2/c1-10-12-15-22(5,6)19-24(9,11-2)20-23(7,8)18-21(3,4)16-13-14-17;/h2H,10,12-17H2,1,3-9H3;1H
• InChIKey: IUSINNIBRSPDOO-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 53.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.85
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen?

The IUPAC name of 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen (CID 158811260) is 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen.

What is the SMILES notation for 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen?

The canonical SMILES for 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen is C#C[Si](C)(O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCN.[H][H].

What is the InChIKey of 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen?

The InChIKey is IUSINNIBRSPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39NO3Si4.H2/c1-10-12-15-22(5,6)19-24(9,11-2)20-23(7,8)18-21(3,4)16-13-14-17;/h2H,10,12-17H2,1,3-9H3;1H.

What are the key properties of 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen?

3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen has a molecular weight of 407.85 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[[butyl(dimethyl)silyl]oxy-ethynyl-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 158811260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).