[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate

C59H122N2O6Si2 — CID 171814510

About [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate

[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate (PubChem CID 171814510) has the molecular formula C59H122N2O6Si2 and a molecular weight of 1011.80 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate.

Molecular Properties

• Compound Name: [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate
• PubChem CID: 171814510
• Molecular Formula: C59H122N2O6Si2
• Molecular Weight: 1011.80 g/mol
• Exact Mass: 1010.88
• IUPAC Name: [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate
• SMILES: CCCCCCCCCCCC(=O)OCCCC(CN(CCCCNC)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/C59H122N2O6Si2/c1-15-18-21-24-27-28-29-32-37-46-56(62)64-50-41-45-55(67-69(13,14)59(7,8)9)52-61(48-39-38-47-60-10)51-54(66-68(11,12)58(4,5)6)44-36-33-40-49-65-57(63)53(42-34-30-25-22-19-16-2)43-35-31-26-23-20-17-3/h53-55,60H,15-52H2,1-14H3
• InChIKey: UGJXBFXDKNJFIX-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 48
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.80
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate?

The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate (CID 171814510) is [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate.

What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate?

The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate is CCCCCCCCCCCC(=O)OCCCC(CN(CCCCNC)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-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate?

The InChIKey is UGJXBFXDKNJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H122N2O6Si2/c1-15-18-21-24-27-28-29-32-37-46-56(62)64-50-41-45-55(67-69(13,14)59(7,8)9)52-61(48-39-38-47-60-10)51-54(66-68(11,12)58(4,5)6)44-36-33-40-49-65-57(63)53(42-34-30-25-22-19-16-2)43-35-31-26-23-20-17-3/h53-55,60H,15-52H2,1-14H3.

What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate?

[6-[tert-butyl(dimethyl)silyl]oxy-7-[[2-[tert-butyl(dimethyl)silyl]oxy-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate has a molecular weight of 1011.80 g/mol, XLogP of 17.53, 48 rotatable bonds, 1 hydrogen bond donors, and 8 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-5-dodecanoyloxypentyl]-[4-(methylamino)butyl]amino]heptyl] 2-octyldecanoate is sourced from PubChem (CID 171814510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).