[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate

C64H130N2O8Si2 — CID 171814727

About [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate

[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate (PubChem CID 171814727) has the molecular formula C64H130N2O8Si2 and a molecular weight of 1111.92 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate.

Molecular Properties

• Compound Name: [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate
• PubChem CID: 171814727
• Molecular Formula: C64H130N2O8Si2
• Molecular Weight: 1111.92 g/mol
• Exact Mass: 1110.94
• IUPAC Name: [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate
• SMILES: CCCCCCCCCCC(=O)OCCCCC(CN(CCCCN(C)C(=O)OC(C)(C)C)CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C64H130N2O8Si2/c1-18-21-24-27-30-31-34-39-49-59(67)70-52-44-40-48-58(74-76(16,17)64(10,11)12)55-66(51-42-41-50-65(13)61(69)72-62(4,5)6)54-57(73-75(14,15)63(7,8)9)47-38-35-43-53-71-60(68)56(45-36-32-28-25-22-19-2)46-37-33-29-26-23-20-3/h56-58H,18-55H2,1-17H3
• InChIKey: HUIAIDDKOMALCR-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 103.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 48
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.92
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate?

The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate (CID 171814727) is [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate.

What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate?

The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate is CCCCCCCCCCC(=O)OCCCCC(CN(CCCCN(C)C(=O)OC(C)(C)C)CC(CCCCCOC(=O)C(CCCCCCCC)CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate?

The InChIKey is HUIAIDDKOMALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H130N2O8Si2/c1-18-21-24-27-30-31-34-39-49-59(67)70-52-44-40-48-58(74-76(16,17)64(10,11)12)55-66(51-42-41-50-65(13)61(69)72-62(4,5)6)54-57(73-75(14,15)63(7,8)9)47-38-35-43-53-71-60(68)56(45-36-32-28-25-22-19-2)46-37-33-29-26-23-20-3/h56-58H,18-55H2,1-17H3.

What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate?

[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate has a molecular weight of 1111.92 g/mol, XLogP of 19.18, 48 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-6-undecanoyloxyhexyl]-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]heptyl] 2-octyldecanoate is sourced from PubChem (CID 171814727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).