[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine

C58H88N4O2Si2 — CID 158073685

About [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine

[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine (PubChem CID 158073685) has the molecular formula C58H88N4O2Si2 and a molecular weight of 929.54 g/mol. Its IUPAC name is [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine.

Molecular Properties

• Compound Name: [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
• PubChem CID: 158073685
• Molecular Formula: C58H88N4O2Si2
• Molecular Weight: 929.54 g/mol
• Exact Mass: 928.64
• IUPAC Name: [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine
• SMILES: CC(C)(C)[Si](OCCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C29H43N3OSi.C29H45NOSi/c1-29(2,3)34(27-21-15-13-16-22-27,28-23-17-14-18-24-28)33-26-20-12-10-8-6-4-5-7-9-11-19-25-31-32-30;1-29(2,3)32(27-21-15-13-16-22-27,28-23-17-14-18-24-28)31-26-20-12-10-8-6-4-5-7-9-11-19-25-30/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26H2,1-3H3;5,7,13-18,21-24H,4,6,8-12,19-20,25-26,30H2,1-3H3/b2*7-5-
• InChIKey: FMCQESQBFNVWFS-MGPXVROHSA-N
• XLogP: 14.53
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 31
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.54
LogP ≤ 5	14.53
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)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?

The IUPAC name of [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine (CID 158073685) is [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine.

What is the SMILES notation for [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?

The canonical SMILES for [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine is CC(C)(C)[Si](OCCCCCCC/C=C\CCCCN)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.

What is the InChIKey of [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?

The InChIKey is FMCQESQBFNVWFS-MGPXVROHSA-N. The full InChI is InChI=1S/C29H43N3OSi.C29H45NOSi/c1-29(2,3)34(27-21-15-13-16-22-27,28-23-17-14-18-24-28)33-26-20-12-10-8-6-4-5-7-9-11-19-25-31-32-30;1-29(2,3)32(27-21-15-13-16-22-27,28-23-17-14-18-24-28)31-26-20-12-10-8-6-4-5-7-9-11-19-25-30/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26H2,1-3H3;5,7,13-18,21-24H,4,6,8-12,19-20,25-26,30H2,1-3H3/b2*7-5-.

What are the key properties of [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine?

[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine has a molecular weight of 929.54 g/mol, XLogP of 14.53, 31 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane;(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-en-1-amine is sourced from PubChem (CID 158073685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).