(2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile

C12H16ClNOSi — CID 11299766

IUPAC(2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNOSi/c1-12(9-14,15-16(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1-4H3/t12-/m0/s1
InChIKeyVLXYPNSXQBIIFC-LBPRGKRZSA-N
MW253.81 g/mol
LogP3.93
Rot. Bonds3

About (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile

(2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 11299766) has the molecular formula C12H16ClNOSi and a molecular weight of 253.81 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID11299766
Molecular FormulaC12H16ClNOSi
Molecular Weight253.81 g/mol
Exact Mass253.07
IUPAC Name(2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNOSi/c1-12(9-14,15-16(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1-4H3/t12-/m0/s1
InChIKeyVLXYPNSXQBIIFC-LBPRGKRZSA-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'}

Analyze (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile (CID 11299766) is (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile is C[C@@](C#N)(O[Si](C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is VLXYPNSXQBIIFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClNOSi/c1-12(9-14,15-16(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1-4H3/t12-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile?
(2R)-2-(3-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 (2R)-2-(3-chlorophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 11299766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).