ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate

C14H20N2O3Si — CID 73122694

IUPACethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O3Si/c1-5-18-14(17)12(16-15)13(19-20(2,3)4)11-9-7-6-8-10-11/h6-10,13H,5H2,1-4H3
InChIKeyIQTLAOLKCJYFDW-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.81
Rot. Bonds6

About ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate

ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate (PubChem CID 73122694) has the molecular formula C14H20N2O3Si and a molecular weight of 292.41 g/mol. Its IUPAC name is ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nameethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate
PubChem CID73122694
Molecular FormulaC14H20N2O3Si
Molecular Weight292.41 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate
SMILESCCOC(=O)C(=[N+]=[N-])C(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O3Si/c1-5-18-14(17)12(16-15)13(19-20(2,3)4)11-9-7-6-8-10-11/h6-10,13H,5H2,1-4H3
InChIKeyIQTLAOLKCJYFDW-UHFFFAOYSA-N
XLogP2.81
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate?
The IUPAC name of ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate (CID 73122694) is ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate is CCOC(=O)C(=[N+]=[N-])C(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate?
The InChIKey is IQTLAOLKCJYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3Si/c1-5-18-14(17)12(16-15)13(19-20(2,3)4)11-9-7-6-8-10-11/h6-10,13H,5H2,1-4H3.
What are the key properties of ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate?
ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate has a molecular weight of 292.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diazo-3-phenyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 73122694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).