[3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate

C67H105NO6Si2 — CID 131730103

About [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate

[3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate (PubChem CID 131730103) has the molecular formula C67H105NO6Si2 and a molecular weight of 1076.75 g/mol. Its IUPAC name is [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate.

Molecular Properties

• Compound Name: [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate
• PubChem CID: 131730103
• Molecular Formula: C67H105NO6Si2
• Molecular Weight: 1076.75 g/mol
• Exact Mass: 1075.75
• IUPAC Name: [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate
• SMILES: CCCCCCCCCCCCCC(=O)OCC(CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCCCCCCCCCCCC
• InChI: InChI=1S/C67H105NO6Si2/c1-9-11-13-15-17-19-21-23-25-27-41-51-64(69)71-58-59(74-65(70)52-42-28-26-24-22-20-18-16-14-12-10-2)57-68(53-55-72-75(66(3,4)5,60-43-33-29-34-44-60)61-45-35-30-36-46-61)54-56-73-76(67(6,7)8,62-47-37-31-38-48-62)63-49-39-32-40-50-63/h29-40,43-50,59H,9-28,41-42,51-58H2,1-8H3
• InChIKey: ZRPWQJFSIWRNLP-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 74.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 41
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.75
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate?

The IUPAC name of [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate (CID 131730103) is [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate.

What is the SMILES notation for [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate?

The canonical SMILES for [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OCC(CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCCCCCCCCCCCC.

What is the InChIKey of [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate?

The InChIKey is ZRPWQJFSIWRNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H105NO6Si2/c1-9-11-13-15-17-19-21-23-25-27-41-51-64(69)71-58-59(74-65(70)52-42-28-26-24-22-20-18-16-14-12-10-2)57-68(53-55-72-75(66(3,4)5,60-43-33-29-34-44-60)61-45-35-30-36-46-61)54-56-73-76(67(6,7)8,62-47-37-31-38-48-62)63-49-39-32-40-50-63/h29-40,43-50,59H,9-28,41-42,51-58H2,1-8H3.

What are the key properties of [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate?

[3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate has a molecular weight of 1076.75 g/mol, XLogP of 15.30, 41 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-tetradecanoyloxypropyl] tetradecanoate is sourced from PubChem (CID 131730103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).