(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane

C12H18N4O3Si — CID 150996443

IUPAC(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N=[N+]=[N-])c([N+](=O)[O-])c1
InChIInChI=1S/C12H18N4O3Si/c1-12(2,3)20(4,5)19-9-6-7-10(14-15-13)11(8-9)16(17)18/h6-8H,1-5H3
InChIKeyLTESPNVMRHLKRA-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.92
Rot. Bonds4

About (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane

(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane (PubChem CID 150996443) has the molecular formula C12H18N4O3Si and a molecular weight of 294.39 g/mol. Its IUPAC name is (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane
PubChem CID150996443
Molecular FormulaC12H18N4O3Si
Molecular Weight294.39 g/mol
Exact Mass294.11
IUPAC Name(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(N=[N+]=[N-])c([N+](=O)[O-])c1
InChIInChI=1S/C12H18N4O3Si/c1-12(2,3)20(4,5)19-9-6-7-10(14-15-13)11(8-9)16(17)18/h6-8H,1-5H3
InChIKeyLTESPNVMRHLKRA-UHFFFAOYSA-N
XLogP4.92
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

1-azido-4-tert-butyl-2-nitrobenzene
CID 151434378
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244
1-azido-4-butyl-2-nitrobenzene
CID 150606918
2,2,5,5-tetramethylhexan-3-yl 4-azido-3-nitrobenzoate
CID 89322324
4-azido-2-methyl-1-nitrobenzene
CID 80583441
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503
CID 59771362
CID 59771362
2-azido-1-bromo-5-methoxy-3-nitrobenzene
CID 169324865
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] 3-nitrobenzenesulfonate
CID 87377213
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
4-azido-2-fluoro-1-nitrobenzene
CID 15088119
4-azido-5-nitrobenzene-1,2-dicarbonitrile
CID 152630324

Frequently Asked Questions

What is the IUPAC name of (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane (CID 150996443) is (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(N=[N+]=[N-])c([N+](=O)[O-])c1.
What is the InChIKey of (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane?
The InChIKey is LTESPNVMRHLKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3Si/c1-12(2,3)20(4,5)19-9-6-7-10(14-15-13)11(8-9)16(17)18/h6-8H,1-5H3.
What are the key properties of (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane?
(4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane has a molecular weight of 294.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-3-nitrophenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 150996443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).