[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane

C27H39N3OSi — CID 90132283

IUPAC[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39N3OSi/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/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3/b5-4-
InChIKeyNTXXPWGSLSNDBN-PLNGDYQASA-N
MW449.72 g/mol
LogP7.16
Rot. Bonds14

About [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane

[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane (PubChem CID 90132283) has the molecular formula C27H39N3OSi and a molecular weight of 449.72 g/mol. Its IUPAC name is [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane
PubChem CID90132283
Molecular FormulaC27H39N3OSi
Molecular Weight449.72 g/mol
Exact Mass449.29
IUPAC Name[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H39N3OSi/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/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3/b5-4-
InChIKeyNTXXPWGSLSNDBN-PLNGDYQASA-N
XLogP7.16
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.72
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane (CID 90132283) is [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is NTXXPWGSLSNDBN-PLNGDYQASA-N. The full InChI is InChI=1S/C27H39N3OSi/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/h4-5,11-16,19-22H,6-10,17-18,23-24H2,1-3H3/b5-4-.
What are the key properties of [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane?
[(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 449.72 g/mol, XLogP of 7.16, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-11-azidoundec-6-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 90132283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).