(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine

C14H22N2O3Si — CID 15311369

IUPAC(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine
SMILESC/C(=N\O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H22N2O3Si/c1-11(15-19-20(5,6)14(2,3)4)12-7-9-13(10-8-12)16(17)18/h7-10H,1-6H3/b15-11+
InChIKeyWGGXIGJZQIEKSQ-RVDMUPIBSA-N
MW294.43 g/mol
LogP4.34
Rot. Bonds4

About (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine

(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine (PubChem CID 15311369) has the molecular formula C14H22N2O3Si and a molecular weight of 294.43 g/mol. Its IUPAC name is (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine
PubChem CID15311369
Molecular FormulaC14H22N2O3Si
Molecular Weight294.43 g/mol
Exact Mass294.14
IUPAC Name(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine
SMILESC/C(=N\O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H22N2O3Si/c1-11(15-19-20(5,6)14(2,3)4)12-7-9-13(10-8-12)16(17)18/h7-10H,1-6H3/b15-11+
InChIKeyWGGXIGJZQIEKSQ-RVDMUPIBSA-N
XLogP4.34
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-1-(4-nitrophenyl)ethanimine
CID 75864218
trimethylsilyl 4-nitrobenzoate
CID 12579305
1-(4-nitrophenyl)ethylidenethiourea
CID 174528048
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
tert-butyl-dimethyl-[(1Z,3Z)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]silane
CID 102342625
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl] (4-nitrophenyl) carbonate
CID 54541945
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine
CID 23584012
2-nitrosopropan-2-yl 4-nitrobenzoate
CID 58488526
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
4-nitrobenzoic acid;trimethylsilane
CID 175438853

Frequently Asked Questions

What is the IUPAC name of (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine?
The IUPAC name of (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine (CID 15311369) is (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine.
What is the SMILES notation for (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine?
The canonical SMILES for (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine is C/C(=N\O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine?
The InChIKey is WGGXIGJZQIEKSQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H22N2O3Si/c1-11(15-19-20(5,6)14(2,3)4)12-7-9-13(10-8-12)16(17)18/h7-10H,1-6H3/b15-11+.
What are the key properties of (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine?
(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine has a molecular weight of 294.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine is sourced from PubChem (CID 15311369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).