[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate

C81H160N2O7Si3 — CID 159720802

About [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate

[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate (PubChem CID 159720802) has the molecular formula C81H160N2O7Si3 and a molecular weight of 1358.44 g/mol. Its IUPAC name is [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate.

Molecular Properties

• Compound Name: [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate
• PubChem CID: 159720802
• Molecular Formula: C81H160N2O7Si3
• Molecular Weight: 1358.44 g/mol
• Exact Mass: 1357.15
• IUPAC Name: [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate
• SMILES: CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C
• InChI: InChI=1S/C81H160N2O7Si3/c1-18-22-26-30-34-38-42-47-57-72(5)67-82(68-75(88-91(10,11)12)61-50-43-39-35-31-27-23-19-2)65-55-53-58-73(6)79(84)87-78(80(85)86-71-74-59-48-46-49-60-74)64-54-56-66-83(69-76(89-92(13,14)15)62-51-44-40-36-32-28-24-20-3)70-77(90-93(16,17)81(7,8)9)63-52-45-41-37-33-29-25-21-4/h46,48-49,59-60,72-73,75-78H,18-45,47,50-58,61-71H2,1-17H3/t72-,73?,75-,76-,77-,78?/m1/s1
• InChIKey: RSDCERZSGCKRJH-DCOXCBKXSA-N
• XLogP: 24.81
• TPSA: 86.77 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 65
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1358.44
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate?

The IUPAC name of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate (CID 159720802) is [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate.

What is the SMILES notation for [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate?

The canonical SMILES for [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate is CCCCCCCCCC[C@@H](C)CN(CCCCC(C)C(=O)OC(CCCCN(C[C@@H](CCCCCCCCCC)O[Si](C)(C)C)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1)C[C@@H](CCCCCCCCCC)O[Si](C)(C)C.

What is the InChIKey of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate?

The InChIKey is RSDCERZSGCKRJH-DCOXCBKXSA-N. The full InChI is InChI=1S/C81H160N2O7Si3/c1-18-22-26-30-34-38-42-47-57-72(5)67-82(68-75(88-91(10,11)12)61-50-43-39-35-31-27-23-19-2)65-55-53-58-73(6)79(84)87-78(80(85)86-71-74-59-48-46-49-60-74)64-54-56-66-83(69-76(89-92(13,14)15)62-51-44-40-36-32-28-24-20-3)70-77(90-93(16,17)81(7,8)9)63-52-45-41-37-33-29-25-21-4/h46,48-49,59-60,72-73,75-78H,18-45,47,50-58,61-71H2,1-17H3/t72-,73?,75-,76-,77-,78?/m1/s1.

What are the key properties of [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate?

[6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate has a molecular weight of 1358.44 g/mol, XLogP of 24.81, 65 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxydodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]-1-oxo-1-phenylmethoxyhexan-2-yl] 2-methyl-6-[[(2R)-2-methyldodecyl]-[(2R)-2-trimethylsilyloxydodecyl]amino]hexanoate is sourced from PubChem (CID 159720802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).