2-trimethylsilylethyl 2-diazo-2-phenylacetate

C13H18N2O2Si — CID 132605238

IUPAC2-trimethylsilylethyl 2-diazo-2-phenylacetate
SMILESC[Si](C)(C)CCOC(=O)C(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C13H18N2O2Si/c1-18(2,3)10-9-17-13(16)12(15-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyIPZLCYUDFGCHJJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.59
Rot. Bonds5

About 2-trimethylsilylethyl 2-diazo-2-phenylacetate

2-trimethylsilylethyl 2-diazo-2-phenylacetate (PubChem CID 132605238) has the molecular formula C13H18N2O2Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-diazo-2-phenylacetate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-diazo-2-phenylacetate
PubChem CID132605238
Molecular FormulaC13H18N2O2Si
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-trimethylsilylethyl 2-diazo-2-phenylacetate
SMILESC[Si](C)(C)CCOC(=O)C(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C13H18N2O2Si/c1-18(2,3)10-9-17-13(16)12(15-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyIPZLCYUDFGCHJJ-UHFFFAOYSA-N
XLogP2.59
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

but-3-enyl 2-diazo-2-phenylacetate
CID 122367366
[3-(2-diazo-2-phenylacetyl)oxy-2,2-bis[(2-diazo-2-phenylacetyl)oxymethyl]propyl] 2-diazo-2-phenylacetate
CID 176825376
ethyl 2-diazo-2-pyridin-3-ylacetate
CID 170961774
1-diazo-1-phenylpropan-2-one
CID 72828466
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
benzhydryl 2-diazo-2-phenylacetate
CID 102391609
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
methyl 2-diazo-2-[3-(2-phenylethynyl)phenyl]acetate
CID 176522386
2-trimethylsilylethyl 2-diphenoxyphosphorylacetate
CID 11257863
2-diazo-N-methoxy-N-methyl-2-phenylacetamide
CID 122217607
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 174251990

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-diazo-2-phenylacetate?
The IUPAC name of 2-trimethylsilylethyl 2-diazo-2-phenylacetate (CID 132605238) is 2-trimethylsilylethyl 2-diazo-2-phenylacetate.
What is the SMILES notation for 2-trimethylsilylethyl 2-diazo-2-phenylacetate?
The canonical SMILES for 2-trimethylsilylethyl 2-diazo-2-phenylacetate is C[Si](C)(C)CCOC(=O)C(=[N+]=[N-])c1ccccc1.
What is the InChIKey of 2-trimethylsilylethyl 2-diazo-2-phenylacetate?
The InChIKey is IPZLCYUDFGCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2Si/c1-18(2,3)10-9-17-13(16)12(15-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-diazo-2-phenylacetate?
2-trimethylsilylethyl 2-diazo-2-phenylacetate has a molecular weight of 262.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-diazo-2-phenylacetate is sourced from PubChem (CID 132605238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).