30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide

C82H155NO5Si4 — CID 101265848

About 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide

30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide (PubChem CID 101265848) has the molecular formula C82H155NO5Si4 and a molecular weight of 1347.49 g/mol. Its IUPAC name is 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide.

Molecular Properties

• Compound Name: 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide
• PubChem CID: 101265848
• Molecular Formula: C82H155NO5Si4
• Molecular Weight: 1347.49 g/mol
• Exact Mass: 1346.10
• IUPAC Name: 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide
• SMILES: CCCCCCCCCCCC[C@H](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C82H155NO5Si4/c1-20-21-22-23-24-25-45-48-51-56-63-73(87-90(16,17)80(5,6)7)69-70-77(88-91(18,19)81(8,9)10)76(72-86-89(14,15)79(2,3)4)83-78(84)68-61-52-49-46-43-41-39-37-35-33-31-29-27-26-28-30-32-34-36-38-40-42-44-47-50-53-62-71-85-92(82(11,12)13,74-64-57-54-58-65-74)75-66-59-55-60-67-75/h54-55,57-60,64-67,69-70,73,76-77H,20-53,56,61-63,68,71-72H2,1-19H3,(H,83,84)/b70-69+/t73-,76+,77-/m1/s1
• InChIKey: HLRGRDLGQRIURB-LNEGGYIPSA-N
• XLogP: 25.64
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 55
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1347.49
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide?

The IUPAC name of 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide (CID 101265848) is 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide.

What is the SMILES notation for 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide?

The canonical SMILES for 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide is CCCCCCCCCCCC[C@H](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide?

The InChIKey is HLRGRDLGQRIURB-LNEGGYIPSA-N. The full InChI is InChI=1S/C82H155NO5Si4/c1-20-21-22-23-24-25-45-48-51-56-63-73(87-90(16,17)80(5,6)7)69-70-77(88-91(18,19)81(8,9)10)76(72-86-89(14,15)79(2,3)4)83-78(84)68-61-52-49-46-43-41-39-37-35-33-31-29-27-26-28-30-32-34-36-38-40-42-44-47-50-53-62-71-85-92(82(11,12)13,74-64-57-54-58-65-74)75-66-59-55-60-67-75/h54-55,57-60,64-67,69-70,73,76-77H,20-53,56,61-63,68,71-72H2,1-19H3,(H,83,84)/b70-69+/t73-,76+,77-/m1/s1.

What are the key properties of 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide?

30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide has a molecular weight of 1347.49 g/mol, XLogP of 25.64, 55 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 30-[tert-butyl(diphenyl)silyl]oxy-N-[(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-yl]triacontanamide is sourced from PubChem (CID 101265848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).