(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane

C13H20BrNO3Si — CID 167722585

IUPAC(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H20BrNO3Si/c1-9-7-12(11(15(16)17)8-10(9)14)18-19(5,6)13(2,3)4/h7-8H,1-6H3
InChIKeyLKXDCZDDYZNXOL-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.05
Rot. Bonds3

About (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane

(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane (PubChem CID 167722585) has the molecular formula C13H20BrNO3Si and a molecular weight of 346.30 g/mol. Its IUPAC name is (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane
PubChem CID167722585
Molecular FormulaC13H20BrNO3Si
Molecular Weight346.30 g/mol
Exact Mass345.04
IUPAC Name(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H20BrNO3Si/c1-9-7-12(11(15(16)17)8-10(9)14)18-19(5,6)13(2,3)4/h7-8H,1-6H3
InChIKeyLKXDCZDDYZNXOL-UHFFFAOYSA-N
XLogP5.05
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-nitrobenzoic acid
CID 167738502
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]-2-hydroxyacetic acid
CID 167720163
methyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]acetate
CID 139995151
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244
4-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-methylaniline
CID 167739749
tert-butyl N-(4-bromo-5-methyl-2-nitrophenyl)carbamate
CID 121312564
5-bromo-4-methyl-2-nitrophenol
CID 82184524
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
CID 167724908
5-bromo-N,N,4-trimethyl-2-nitroaniline
CID 131143954
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
tert-butyl-[4-(2,6-dimethyl-4-nitrophenoxy)-2-propan-2-ylphenoxy]-dimethylsilane
CID 10432023

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane (CID 167722585) is (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane is Cc1cc(O[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1Br.
What is the InChIKey of (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane?
The InChIKey is LKXDCZDDYZNXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3Si/c1-9-7-12(11(15(16)17)8-10(9)14)18-19(5,6)13(2,3)4/h7-8H,1-6H3.
What are the key properties of (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane?
(4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane has a molecular weight of 346.30 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methyl-2-nitrophenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 167722585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).