2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile

C12H16ClNOSi — CID 11436716

IUPAC2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOSi/c1-12(9-14,15-16(2,3)4)10-5-7-11(13)8-6-10/h5-8H,1-4H3
InChIKeyDOVSULGRJZXCKL-UHFFFAOYSA-N
MW253.81 g/mol
LogP3.93
Rot. Bonds3

About 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile

2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 11436716) has the molecular formula C12H16ClNOSi and a molecular weight of 253.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID11436716
Molecular FormulaC12H16ClNOSi
Molecular Weight253.81 g/mol
Exact Mass253.07
IUPAC Name2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOSi/c1-12(9-14,15-16(2,3)4)10-5-7-11(13)8-6-10/h5-8H,1-4H3
InChIKeyDOVSULGRJZXCKL-UHFFFAOYSA-N
XLogP3.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.81
LogP ≤ 53.93
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-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile (CID 11436716) is 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile is CC(C#N)(O[Si](C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is DOVSULGRJZXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOSi/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-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 253.81 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 11436716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).