[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane

C15H24BrNO3Si — CID 167525353

IUPAC[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc([N+](=O)[O-])cc1CCBr
InChIInChI=1S/C15H24BrNO3Si/c1-15(2,3)21(4,5)20-11-13-6-7-14(17(18)19)10-12(13)8-9-16/h6-7,10H,8-9,11H2,1-5H3
InChIKeyVJCYCDIAEGHYPL-UHFFFAOYSA-N
MW374.35 g/mol
LogP5.05
Rot. Bonds6

About [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane

[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 167525353) has the molecular formula C15H24BrNO3Si and a molecular weight of 374.35 g/mol. Its IUPAC name is [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
PubChem CID167525353
Molecular FormulaC15H24BrNO3Si
Molecular Weight374.35 g/mol
Exact Mass373.07
IUPAC Name[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc([N+](=O)[O-])cc1CCBr
InChIInChI=1S/C15H24BrNO3Si/c1-15(2,3)21(4,5)20-11-13-6-7-14(17(18)19)10-12(13)8-9-16/h6-7,10H,8-9,11H2,1-5H3
InChIKeyVJCYCDIAEGHYPL-UHFFFAOYSA-N
XLogP5.05
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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

tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
CID 167724908
tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane
CID 23529504
2-(2-bromoethyl)-4-nitrobenzenesulfonamide
CID 150508996
2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10641233
1,2-bis(bromomethyl)-4-nitrobenzene;ethane
CID 143301979
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
CID 171727294
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
CID 168827188
tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
CID 169013499

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane (CID 167525353) is [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc([N+](=O)[O-])cc1CCBr.
What is the InChIKey of [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is VJCYCDIAEGHYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3Si/c1-15(2,3)21(4,5)20-11-13-6-7-14(17(18)19)10-12(13)8-9-16/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane?
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 374.35 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 167525353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).