[1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane

C12H16BrNOSi — CID 134997176

IUPAC[1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOSi/c1-12(14-2,15-16(3,4)5)10-6-8-11(13)9-7-10/h6-9H,1,3-5H3
InChIKeyYLUUTPPKGUNRHA-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.39
Rot. Bonds3

About [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane

[1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane (PubChem CID 134997176) has the molecular formula C12H16BrNOSi and a molecular weight of 298.26 g/mol. Its IUPAC name is [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane
PubChem CID134997176
Molecular FormulaC12H16BrNOSi
Molecular Weight298.26 g/mol
Exact Mass297.02
IUPAC Name[1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOSi/c1-12(14-2,15-16(3,4)5)10-6-8-11(13)9-7-10/h6-9H,1,3-5H3
InChIKeyYLUUTPPKGUNRHA-UHFFFAOYSA-N
XLogP4.39
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, [[1-(4-bromophenyl)ethenyl]oxy]trimethyl-
CID 10355809
[1-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
[1-(2-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134999093
[1-(4-Bromophenyl)vinyloxy]-tert-butyldimethylsilane
CID 15148994
2-(4-Bromophenyl)-2-trimethylsilyloxypropanenitrile
CID 19424686
2-(4-Bromophenyl)-2-((trimethylsilyl)oxy)acetonitrile
CID 24798836
(2S)-2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
CID 11687813
Lithium 2-(4-bromophenyl)-2-trimethylsilyloxyacetonitrile
CID 134884226
2-(4-Bromophenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
CID 134994574
(1-Isocyano-1-phenylpropoxy)-trimethylsilane
CID 134996939
(1-Isocyano-2-methyl-1-phenylpropoxy)-trimethylsilane
CID 134996943
[1-Isocyano-1-(2-methylphenyl)ethoxy]-trimethylsilane
CID 134997060

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane?
The IUPAC name of [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane (CID 134997176) is [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane is [C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane?
The InChIKey is YLUUTPPKGUNRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOSi/c1-12(14-2,15-16(3,4)5)10-6-8-11(13)9-7-10/h6-9H,1,3-5H3.
What are the key properties of [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane?
[1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane has a molecular weight of 298.26 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-1-isocyanoethoxy]-trimethylsilane is sourced from PubChem (CID 134997176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).