2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine

C56H95NO3Si2 — CID 171814705

About 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine

2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine (PubChem CID 171814705) has the molecular formula C56H95NO3Si2 and a molecular weight of 886.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine
• PubChem CID: 171814705
• Molecular Formula: C56H95NO3Si2
• Molecular Weight: 886.55 g/mol
• Exact Mass: 885.69
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine
• SMILES: CCCCCCCCC(CN(CCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C56H95NO3Si2/c1-13-15-17-19-21-33-43-52(59-61(9,10)54(3,4)5)47-57(48-53(44-34-22-20-18-16-14-2)60-62(11,12)55(6,7)8)45-35-26-36-46-58-56(49-37-27-23-28-38-49,50-39-29-24-30-40-50)51-41-31-25-32-42-51/h23-25,27-32,37-42,52-53H,13-22,26,33-36,43-48H2,1-12H3
• InChIKey: CBBCTKNARPVFHF-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 32
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.55
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine (CID 171814705) is 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine is CCCCCCCCC(CN(CCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine?

The InChIKey is CBBCTKNARPVFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H95NO3Si2/c1-13-15-17-19-21-33-43-52(59-61(9,10)54(3,4)5)47-57(48-53(44-34-22-20-18-16-14-2)60-62(11,12)55(6,7)8)45-35-26-36-46-58-56(49-37-27-23-28-38-49,50-39-29-24-30-40-50)51-41-31-25-32-42-51/h23-25,27-32,37-42,52-53H,13-22,26,33-36,43-48H2,1-12H3.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine?

2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine has a molecular weight of 886.55 g/mol, XLogP of 16.75, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-[tert-butyl(dimethyl)silyl]oxydecyl]-N-(5-trityloxypentyl)decan-1-amine is sourced from PubChem (CID 171814705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).