tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane

C16H25N3O3Si — CID 58200284

IUPACtert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane
SMILESCc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O3Si/c1-12-9-13-11-17-18(15(13)10-14(12)19(20)21)7-8-22-23(5,6)16(2,3)4/h9-11H,7-8H2,1-6H3
InChIKeyGHEODVPPCGNEFA-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.27
Rot. Bonds5

About tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane (PubChem CID 58200284) has the molecular formula C16H25N3O3Si and a molecular weight of 335.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane
PubChem CID58200284
Molecular FormulaC16H25N3O3Si
Molecular Weight335.48 g/mol
Exact Mass335.17
IUPAC Nametert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane
SMILESCc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O3Si/c1-12-9-13-11-17-18(15(13)10-14(12)19(20)21)7-8-22-23(5,6)16(2,3)4/h9-11H,7-8H2,1-6H3
InChIKeyGHEODVPPCGNEFA-UHFFFAOYSA-N
XLogP4.27
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.27
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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Related Compounds

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CID 69453503
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CID 170692410
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
CID 69073629
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
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2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
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1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
CID 165385908
4-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazole-5-carbaldehyde
CID 154722593
2-methyl-N-[3-(6-nitroindazol-1-yl)propyl]propan-2-amine
CID 61387689
ethane;5-fluoro-6-nitro-1-prop-2-enylindazole
CID 177244163
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-nitro-3,4-dihydroquinolin-2-one
CID 68706195
tert-butyl-dimethyl-[[(2R)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methoxy]silane
CID 59003386
5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline
CID 172553993

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane (CID 58200284) is tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane is Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane?
The InChIKey is GHEODVPPCGNEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3Si/c1-12-9-13-11-17-18(15(13)10-14(12)19(20)21)7-8-22-23(5,6)16(2,3)4/h9-11H,7-8H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane has a molecular weight of 335.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane is sourced from PubChem (CID 58200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).