[(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane

C23H31N3OSi — CID 135012474

IUPAC[(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3OSi/c1-23(2,3)28(21-15-9-7-10-16-21,22-17-11-8-12-18-22)27-20-14-6-4-5-13-19-25-26-24/h6-12,14-18H,4-5,13,19-20H2,1-3H3/b14-6-
InChIKeyURLBHBRNODMKAW-NSIKDUERSA-N
MW393.61 g/mol
LogP5.60
Rot. Bonds10

About [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane

[(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane (PubChem CID 135012474) has the molecular formula C23H31N3OSi and a molecular weight of 393.61 g/mol. Its IUPAC name is [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane
PubChem CID135012474
Molecular FormulaC23H31N3OSi
Molecular Weight393.61 g/mol
Exact Mass393.22
IUPAC Name[(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3OSi/c1-23(2,3)28(21-15-9-7-10-16-21,22-17-11-8-12-18-22)27-20-14-6-4-5-13-19-25-26-24/h6-12,14-18H,4-5,13,19-20H2,1-3H3/b14-6-
InChIKeyURLBHBRNODMKAW-NSIKDUERSA-N
XLogP5.60
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 55.60
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)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane (CID 135012474) is [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC/C=C\CCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is URLBHBRNODMKAW-NSIKDUERSA-N. The full InChI is InChI=1S/C23H31N3OSi/c1-23(2,3)28(21-15-9-7-10-16-21,22-17-11-8-12-18-22)27-20-14-6-4-5-13-19-25-26-24/h6-12,14-18H,4-5,13,19-20H2,1-3H3/b14-6-.
What are the key properties of [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane?
[(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 393.61 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-azidohept-2-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 135012474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).