ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate

C12H25NO2Si — CID 11770663

IUPACethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate
SMILESC=C(/N=C(/C)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-9-14-10(2)13-11(3)15-16(7,8)12(4,5)6/h3,9H2,1-2,4-8H3/b13-10-
InChIKeyCOQLUEVAFYHGKA-RAXLEYEMSA-N
MW243.42 g/mol
LogP3.93
Rot. Bonds4

About ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate

ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate (PubChem CID 11770663) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate
PubChem CID11770663
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Nameethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate
SMILESC=C(/N=C(/C)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-9-14-10(2)13-11(3)15-16(7,8)12(4,5)6/h3,9H2,1-2,4-8H3/b13-10-
InChIKeyCOQLUEVAFYHGKA-RAXLEYEMSA-N
XLogP3.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[tert-butyl(dimethyl)silyl] (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]methanimidate
CID 11823218
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 139673733
ethyl N-acetylethanimidate
CID 10011919
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-5-iodo-2-methylpent-4-ynoate
CID 11189381
[tert-butyl(dimethyl)silyl] N-[tert-butyl(dimethyl)silyl]propanimidate
CID 529237
1-[tert-butyl(dimethyl)silyl]oxyethylidenechromium;carbon monoxide
CID 134877255
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
CID 10879267

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate?
The IUPAC name of ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate (CID 11770663) is ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate.
What is the SMILES notation for ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate?
The canonical SMILES for ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate is C=C(/N=C(/C)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate?
The InChIKey is COQLUEVAFYHGKA-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-9-14-10(2)13-11(3)15-16(7,8)12(4,5)6/h3,9H2,1-2,4-8H3/b13-10-.
What are the key properties of ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate?
ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate has a molecular weight of 243.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]ethanimidate is sourced from PubChem (CID 11770663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).