4-azidobut-2-enoxy-tert-butyl-dimethylsilane

C10H21N3OSi — CID 71412857

IUPAC4-azidobut-2-enoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=CCN=[N+]=[N-]
InChIInChI=1S/C10H21N3OSi/c1-10(2,3)15(4,5)14-9-7-6-8-12-13-11/h6-7H,8-9H2,1-5H3
InChIKeyXXAJBDRHXFUCPQ-UHFFFAOYSA-N
MW227.38 g/mol
LogP3.87
Rot. Bonds5

About 4-azidobut-2-enoxy-tert-butyl-dimethylsilane

4-azidobut-2-enoxy-tert-butyl-dimethylsilane (PubChem CID 71412857) has the molecular formula C10H21N3OSi and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-azidobut-2-enoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-azidobut-2-enoxy-tert-butyl-dimethylsilane
PubChem CID71412857
Molecular FormulaC10H21N3OSi
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-azidobut-2-enoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=CCN=[N+]=[N-]
InChIInChI=1S/C10H21N3OSi/c1-10(2,3)15(4,5)14-9-7-6-8-12-13-11/h6-7H,8-9H2,1-5H3
InChIKeyXXAJBDRHXFUCPQ-UHFFFAOYSA-N
XLogP3.87
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidobut-2-enoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-azidobut-2-enoxy-tert-butyl-dimethylsilane (CID 71412857) is 4-azidobut-2-enoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-azidobut-2-enoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-azidobut-2-enoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC=CCN=[N+]=[N-].
What is the InChIKey of 4-azidobut-2-enoxy-tert-butyl-dimethylsilane?
The InChIKey is XXAJBDRHXFUCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3OSi/c1-10(2,3)15(4,5)14-9-7-6-8-12-13-11/h6-7H,8-9H2,1-5H3.
What are the key properties of 4-azidobut-2-enoxy-tert-butyl-dimethylsilane?
4-azidobut-2-enoxy-tert-butyl-dimethylsilane has a molecular weight of 227.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidobut-2-enoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71412857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).