ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate

C13H24N2O3Si — CID 156750246

IUPACethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate
SMILESC/C=C(\O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C13H24N2O3Si/c1-8-10(11(15-14)12(16)17-9-2)18-19(6,7)13(3,4)5/h8H,9H2,1-7H3/b10-8-
InChIKeyYOMHQWXSROZZCL-NTMALXAHSA-N
MW284.43 g/mol
LogP3.15
Rot. Bonds5

About ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate

ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate (PubChem CID 156750246) has the molecular formula C13H24N2O3Si and a molecular weight of 284.43 g/mol. Its IUPAC name is ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate
PubChem CID156750246
Molecular FormulaC13H24N2O3Si
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Nameethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate
SMILESC/C=C(\O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C13H24N2O3Si/c1-8-10(11(15-14)12(16)17-9-2)18-19(6,7)13(3,4)5/h8H,9H2,1-7H3/b10-8-
InChIKeyYOMHQWXSROZZCL-NTMALXAHSA-N
XLogP3.15
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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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Related Compounds

ethyl 2-diazo-4,4,6,6-tetramethyl-3-oxoheptanoate
CID 136635269
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 139673733
ethyl 4-chloro-2-diazo-3-oxobutanoate
CID 71421010
ethyl 2-diazo-3-(methoxyamino)-3-oxopropanoate
CID 136646399
ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate
CID 164665475
ethyl 2-[azido(ditert-butyl)silyl]-2-diazoacetate
CID 85349741
ethyl 2-diazo-2-[tris(2,2-dimethylpropyl)stannyl]acetate
CID 71443621
ethyl 2-methoxybut-2-enoate
CID 141457807
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
ethyl 2-diazo-3-oxononanoate
CID 137280982
dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
CID 11993936
diethyl 2-diazo-3-(dinitromethylidene)butanedioate
CID 71380132

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate?
The IUPAC name of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate (CID 156750246) is ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate.
What is the SMILES notation for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate?
The canonical SMILES for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate is C/C=C(\O[Si](C)(C)C(C)(C)C)C(=[N+]=[N-])C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate?
The InChIKey is YOMHQWXSROZZCL-NTMALXAHSA-N. The full InChI is InChI=1S/C13H24N2O3Si/c1-8-10(11(15-14)12(16)17-9-2)18-19(6,7)13(3,4)5/h8H,9H2,1-7H3/b10-8-.
What are the key properties of ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate?
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate has a molecular weight of 284.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate is sourced from PubChem (CID 156750246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).