ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate

C12H23N5O2Si — CID 85349741

IUPACethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate
SMILESCCOC(=O)C(=[N+]=[N-])[Si](N=[N+]=[N-])(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N5O2Si/c1-8-19-10(18)9(15-13)20(17-16-14,11(2,3)4)12(5,6)7/h8H2,1-7H3
InChIKeyNRDXRBVPRCBZSD-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.62
Rot. Bonds4

About ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate

ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate (PubChem CID 85349741) has the molecular formula C12H23N5O2Si and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate.

Molecular Properties

Compound Nameethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate
PubChem CID85349741
Molecular FormulaC12H23N5O2Si
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC Nameethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate
SMILESCCOC(=O)C(=[N+]=[N-])[Si](N=[N+]=[N-])(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N5O2Si/c1-8-19-10(18)9(15-13)20(17-16-14,11(2,3)4)12(5,6)7/h8H2,1-7H3
InChIKeyNRDXRBVPRCBZSD-UHFFFAOYSA-N
XLogP3.62
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate?
The IUPAC name of ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate (CID 85349741) is ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate.
What is the SMILES notation for ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate?
The canonical SMILES for ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate is CCOC(=O)C(=[N+]=[N-])[Si](N=[N+]=[N-])(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate?
The InChIKey is NRDXRBVPRCBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2Si/c1-8-19-10(18)9(15-13)20(17-16-14,11(2,3)4)12(5,6)7/h8H2,1-7H3.
What are the key properties of ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate?
ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate has a molecular weight of 297.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate is sourced from PubChem (CID 85349741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).