tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane

C11H20ClN3O3Si — CID 25232171

IUPACtert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc([N+](=O)[O-])nc1Cl
InChIInChI=1S/C11H20ClN3O3Si/c1-11(2,3)19(4,5)18-7-6-14-8-9(15(16)17)13-10(14)12/h8H,6-7H2,1-5H3
InChIKeyXBUDFNRFPHKHQB-UHFFFAOYSA-N
MW305.84 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane (PubChem CID 25232171) has the molecular formula C11H20ClN3O3Si and a molecular weight of 305.84 g/mol. Its IUPAC name is tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
PubChem CID25232171
Molecular FormulaC11H20ClN3O3Si
Molecular Weight305.84 g/mol
Exact Mass305.10
IUPAC Nametert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc([N+](=O)[O-])nc1Cl
InChIInChI=1S/C11H20ClN3O3Si/c1-11(2,3)19(4,5)18-7-6-14-8-9(15(16)17)13-10(14)12/h8H,6-7H2,1-5H3
InChIKeyXBUDFNRFPHKHQB-UHFFFAOYSA-N
XLogP3.47
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane (CID 25232171) is tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc([N+](=O)[O-])nc1Cl.
What is the InChIKey of tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane?
The InChIKey is XBUDFNRFPHKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O3Si/c1-11(2,3)19(4,5)18-7-6-14-8-9(15(16)17)13-10(14)12/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane has a molecular weight of 305.84 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 25232171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).