2-trimethylsilylethyl 2-diazoacetate

C7H14N2O2Si — CID 123321469

IUPAC2-trimethylsilylethyl 2-diazoacetate
SMILESC[Si](C)(C)CCOC(=O)C=[N+]=[N-]
InChIInChI=1S/C7H14N2O2Si/c1-12(2,3)5-4-11-7(10)6-9-8/h6H,4-5H2,1-3H3
InChIKeyPBDJXDWRCUWLCK-UHFFFAOYSA-N
MW186.29 g/mol
LogP1.17
Rot. Bonds4

About 2-trimethylsilylethyl 2-diazoacetate

2-trimethylsilylethyl 2-diazoacetate (PubChem CID 123321469) has the molecular formula C7H14N2O2Si and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-diazoacetate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-diazoacetate
PubChem CID123321469
Molecular FormulaC7H14N2O2Si
Molecular Weight186.29 g/mol
Exact Mass186.08
IUPAC Name2-trimethylsilylethyl 2-diazoacetate
SMILESC[Si](C)(C)CCOC(=O)C=[N+]=[N-]
InChIInChI=1S/C7H14N2O2Si/c1-12(2,3)5-4-11-7(10)6-9-8/h6H,4-5H2,1-3H3
InChIKeyPBDJXDWRCUWLCK-UHFFFAOYSA-N
XLogP1.17
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.17
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

2-(2-diazoacetyl)oxyethyl 2-diazoacetate
CID 102499938
2-(2-diazoacetyl)oxyethyl-trimethylazanium bromide
CID 71436825
ethanol;ethyl 2-diazoacetate
CID 161468576
2-trimethylsilylethyl N-diazocarbamate
CID 11106088
2-trimethylsilylethyl (E)-4-chloro-4-oxobut-2-enoate
CID 10082789
2-(2-aminooxyethoxy)ethyl 2-diazoacetate
CID 102015965
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
6-oxo-6-(2-trimethylsilylethoxy)hexa-2,4-dienoate
CID 71402827
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (E)-but-2-enedioate
CID 88503602
2,2,2-trichloroethyl 2-diazoacetate
CID 71400363
[(2E,4E)-6-(2-diazoacetyl)oxyhexa-2,4-dienyl] 2-diazoacetate
CID 101372875
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-diazoacetate?
The IUPAC name of 2-trimethylsilylethyl 2-diazoacetate (CID 123321469) is 2-trimethylsilylethyl 2-diazoacetate.
What is the SMILES notation for 2-trimethylsilylethyl 2-diazoacetate?
The canonical SMILES for 2-trimethylsilylethyl 2-diazoacetate is C[Si](C)(C)CCOC(=O)C=[N+]=[N-].
What is the InChIKey of 2-trimethylsilylethyl 2-diazoacetate?
The InChIKey is PBDJXDWRCUWLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2Si/c1-12(2,3)5-4-11-7(10)6-9-8/h6H,4-5H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-diazoacetate?
2-trimethylsilylethyl 2-diazoacetate has a molecular weight of 186.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-diazoacetate is sourced from PubChem (CID 123321469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).