[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane

C29H43N3OSi — CID 140639053

IUPAC[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H43N3OSi/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/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26H2,1-3H3/b7-5-
InChIKeyTUVHOIJFPLXOFE-ALCCZGGFSA-N
MW477.77 g/mol
LogP7.94
Rot. Bonds16

About [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane

[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane (PubChem CID 140639053) has the molecular formula C29H43N3OSi and a molecular weight of 477.77 g/mol. Its IUPAC name is [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane
PubChem CID140639053
Molecular FormulaC29H43N3OSi
Molecular Weight477.77 g/mol
Exact Mass477.32
IUPAC Name[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H43N3OSi/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/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26H2,1-3H3/b7-5-
InChIKeyTUVHOIJFPLXOFE-ALCCZGGFSA-N
XLogP7.94
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.77
LogP ≤ 57.94
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)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane (CID 140639053) is [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane is 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?
The InChIKey is TUVHOIJFPLXOFE-ALCCZGGFSA-N. The full InChI is InChI=1S/C29H43N3OSi/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/h5,7,13-18,21-24H,4,6,8-12,19-20,25-26H2,1-3H3/b7-5-.
What are the key properties of [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane?
[(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 477.77 g/mol, XLogP of 7.94, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-13-azidotridec-8-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 140639053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).