(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile

C12H15Cl2NOSi — CID 134956972

IUPAC(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile
SMILESC[C@](C#N)(O[Si](C)(C)CCl)c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl2NOSi/c1-12(8-15,16-17(2,3)9-13)10-5-4-6-11(14)7-10/h4-7H,9H2,1-3H3/t12-/m1/s1
InChIKeyIEGKYMJMJUMLEZ-GFCCVEGCSA-N
MW288.25 g/mol
LogP4.08
Rot. Bonds4

About (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile

(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile (PubChem CID 134956972) has the molecular formula C12H15Cl2NOSi and a molecular weight of 288.25 g/mol. Its IUPAC name is (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile.

Molecular Properties

Compound Name(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile
PubChem CID134956972
Molecular FormulaC12H15Cl2NOSi
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile
SMILESC[C@](C#N)(O[Si](C)(C)CCl)c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl2NOSi/c1-12(8-15,16-17(2,3)9-13)10-5-4-6-11(14)7-10/h4-7H,9H2,1-3H3/t12-/m1/s1
InChIKeyIEGKYMJMJUMLEZ-GFCCVEGCSA-N
XLogP4.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile?
The IUPAC name of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile (CID 134956972) is (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile.
What is the SMILES notation for (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile?
The canonical SMILES for (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile is C[C@](C#N)(O[Si](C)(C)CCl)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile?
The InChIKey is IEGKYMJMJUMLEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15Cl2NOSi/c1-12(8-15,16-17(2,3)9-13)10-5-4-6-11(14)7-10/h4-7H,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile?
(2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile has a molecular weight of 288.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[chloromethyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)propanenitrile is sourced from PubChem (CID 134956972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).