[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol

C56H83N3O3Si2 — CID 161163312

About [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol

[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol (PubChem CID 161163312) has the molecular formula C56H83N3O3Si2 and a molecular weight of 902.47 g/mol. Its IUPAC name is [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol.

Molecular Properties

• Compound Name: [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol
• PubChem CID: 161163312
• Molecular Formula: C56H83N3O3Si2
• Molecular Weight: 902.47 g/mol
• Exact Mass: 901.60
• IUPAC Name: [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol
• SMILES: CC(C)(C)[Si](OCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H41N3OSi.C28H42O2Si/c1-28(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-4-6-8-10-18-24-30-31-29;1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3;4,6,12-17,20-23,29H,5,7-11,18-19,24-25H2,1-3H3/b2*6-4-
• InChIKey: UQEYXNVGSFCQSB-WENNBGMGSA-N
• XLogP: 13.78
• TPSA: 87.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 29
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.47
LogP ≤ 5	13.78
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)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol?

The IUPAC name of [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol (CID 161163312) is [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol.

What is the SMILES notation for [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol?

The canonical SMILES for [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol is CC(C)(C)[Si](OCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCCCCCC/C=C\CCCCO)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol?

The InChIKey is UQEYXNVGSFCQSB-WENNBGMGSA-N. The full InChI is InChI=1S/C28H41N3OSi.C28H42O2Si/c1-28(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-4-6-8-10-18-24-30-31-29;1-28(2,3)31(26-20-14-12-15-21-26,27-22-16-13-17-23-27)30-25-19-11-9-7-5-4-6-8-10-18-24-29/h4,6,12-17,20-23H,5,7-11,18-19,24-25H2,1-3H3;4,6,12-17,20-23,29H,5,7-11,18-19,24-25H2,1-3H3/b2*6-4-.

What are the key properties of [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol?

[(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol has a molecular weight of 902.47 g/mol, XLogP of 13.78, 29 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-12-azidododec-7-enoxy]-tert-butyl-diphenylsilane;(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-en-1-ol is sourced from PubChem (CID 161163312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).