2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile

C12H16BrNOSi — CID 19424686

IUPAC2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOSi/c1-12(9-14,15-16(2,3)4)10-5-7-11(13)8-6-10/h5-8H,1-4H3
InChIKeyZOGILNJYZCGBQL-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.04
Rot. Bonds3

About 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile

2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 19424686) has the molecular formula C12H16BrNOSi and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID19424686
Molecular FormulaC12H16BrNOSi
Molecular Weight298.26 g/mol
Exact Mass297.02
IUPAC Name2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOSi/c1-12(9-14,15-16(2,3)4)10-5-7-11(13)8-6-10/h5-8H,1-4H3
InChIKeyZOGILNJYZCGBQL-UHFFFAOYSA-N
XLogP4.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
Silane, [[1-(4-bromophenyl)ethenyl]oxy]trimethyl-
CID 10355809
2-Bromo-5-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91739655
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
[2-(4-Bromophenyl)-3,3,4,4,4-pentafluorobutan-2-yl]oxy-trimethylsilane
CID 166444052
2-Phenyl-2-trimethylsiloxy-3,3-dimethylbutyronitrile
CID 12439568
2-Phenyl-2-trimethylsilyloxypropanenitrile
CID 9899312
(2R)-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 11183590
2-(2-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 11608333
2-(4-Methylphenyl)-2-trimethylsilyloxypropanenitrile
CID 12439565

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile (CID 19424686) is 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile is CC(C#N)(O[Si](C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is ZOGILNJYZCGBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOSi/c1-12(9-14,15-16(2,3)4)10-5-7-11(13)8-6-10/h5-8H,1-4H3.
What are the key properties of 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile?
2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 298.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 19424686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).