2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile

C11H13Cl2NOSi — CID 11460001

IUPAC2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NOSi/c1-16(2,3)15-10(7-14)11-8(12)5-4-6-9(11)13/h4-6,10H,1-3H3
InChIKeyBHHITEJRKVUBFJ-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.41
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile

2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 11460001) has the molecular formula C11H13Cl2NOSi and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID11460001
Molecular FormulaC11H13Cl2NOSi
Molecular Weight274.22 g/mol
Exact Mass273.01
IUPAC Name2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NOSi/c1-16(2,3)15-10(7-14)11-8(12)5-4-6-9(11)13/h4-6,10H,1-3H3
InChIKeyBHHITEJRKVUBFJ-UHFFFAOYSA-N
XLogP4.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile (CID 11460001) is 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is BHHITEJRKVUBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOSi/c1-16(2,3)15-10(7-14)11-8(12)5-4-6-9(11)13/h4-6,10H,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile?
2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 274.22 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 11460001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).