[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol

C54H79N3O3Si2 — CID 158270375

About [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol

[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol (PubChem CID 158270375) has the molecular formula C54H79N3O3Si2 and a molecular weight of 874.42 g/mol. Its IUPAC name is [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol.

Molecular Properties

• Compound Name: [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
• PubChem CID: 158270375
• Molecular Formula: C54H79N3O3Si2
• Molecular Weight: 874.42 g/mol
• Exact Mass: 873.57
• IUPAC Name: [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
• SMILES: CC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H39N3OSi.C27H40O2Si/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3;4-5,11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3/b2*5-4-
• InChIKey: GIYLHXBGGBYIOS-KERYXKJGSA-N
• XLogP: 13.00
• TPSA: 87.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 27
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.42
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?

The IUPAC name of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol (CID 158270375) is [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol.

What is the SMILES notation for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?

The canonical SMILES for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol is CC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?

The InChIKey is GIYLHXBGGBYIOS-KERYXKJGSA-N. The full InChI is InChI=1S/C27H39N3OSi.C27H40O2Si/c1-27(2,3)32(25-19-13-11-14-20-25,26-21-15-12-16-22-26)31-24-18-10-8-6-4-5-7-9-17-23-29-30-28;1-27(2,3)30(25-19-13-11-14-20-25,26-21-15-12-16-22-26)29-24-18-10-8-6-4-5-7-9-17-23-28/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3;4-5,11-16,19-22,28H,6-10,17-18,23-24H2,1-3H3/b2*5-4-.

What are the key properties of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol?

[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol has a molecular weight of 874.42 g/mol, XLogP of 13.00, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane;(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol is sourced from PubChem (CID 158270375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).