[(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol

C48H67N3O3Si2 — CID 158465466

About [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol

[(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol (PubChem CID 158465466) has the molecular formula C48H67N3O3Si2 and a molecular weight of 790.25 g/mol. Its IUPAC name is [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol.

Molecular Properties

• Compound Name: [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol
• PubChem CID: 158465466
• Molecular Formula: C48H67N3O3Si2
• Molecular Weight: 790.25 g/mol
• Exact Mass: 789.47
• IUPAC Name: [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol
• SMILES: CC(C)(C)[Si](OCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H33N3OSi.C24H34O2Si/c1-24(2,3)29(22-16-10-8-11-17-22,23-18-12-9-13-19-23)28-21-15-7-5-4-6-14-20-26-27-25;1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h5,7-13,16-19H,4,6,14-15,20-21H2,1-3H3;5,7-13,16-19,25H,4,6,14-15,20-21H2,1-3H3/b2*7-5-
• InChIKey: HFRTZTVNRYELFR-MGPXVROHSA-N
• XLogP: 10.66
• TPSA: 87.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.25
LogP ≤ 5	10.66
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)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol?

The IUPAC name of [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol (CID 158465466) is [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol.

What is the SMILES notation for [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol?

The canonical SMILES for [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol is CC(C)(C)[Si](OCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCC/C=C\CCCCO)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol?

The InChIKey is HFRTZTVNRYELFR-MGPXVROHSA-N. The full InChI is InChI=1S/C24H33N3OSi.C24H34O2Si/c1-24(2,3)29(22-16-10-8-11-17-22,23-18-12-9-13-19-23)28-21-15-7-5-4-6-14-20-26-27-25;1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h5,7-13,16-19H,4,6,14-15,20-21H2,1-3H3;5,7-13,16-19,25H,4,6,14-15,20-21H2,1-3H3/b2*7-5-.

What are the key properties of [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol?

[(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol has a molecular weight of 790.25 g/mol, XLogP of 10.66, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-8-azidooct-3-enoxy]-tert-butyl-diphenylsilane;(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-en-1-ol is sourced from PubChem (CID 158465466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).