(2S)-3-methyl-2-trimethylsilyloxybutanenitrile

C8H17NOSi — CID 102329282

IUPAC(2S)-3-methyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C)[C@@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C8H17NOSi/c1-7(2)8(6-9)10-11(3,4)5/h7-8H,1-5H3/t8-/m1/s1
InChIKeyQLKKZICTVGOYHN-MRVPVSSYSA-N
MW171.32 g/mol
LogP2.39
Rot. Bonds3

About (2S)-3-methyl-2-trimethylsilyloxybutanenitrile

(2S)-3-methyl-2-trimethylsilyloxybutanenitrile (PubChem CID 102329282) has the molecular formula C8H17NOSi and a molecular weight of 171.32 g/mol. Its IUPAC name is (2S)-3-methyl-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name(2S)-3-methyl-2-trimethylsilyloxybutanenitrile
PubChem CID102329282
Molecular FormulaC8H17NOSi
Molecular Weight171.32 g/mol
Exact Mass171.11
IUPAC Name(2S)-3-methyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C)[C@@H](C#N)O[Si](C)(C)C
InChIInChI=1S/C8H17NOSi/c1-7(2)8(6-9)10-11(3,4)5/h7-8H,1-5H3/t8-/m1/s1
InChIKeyQLKKZICTVGOYHN-MRVPVSSYSA-N
XLogP2.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3-methyl-2-trimethylsilyloxybutanenitrile 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 (2S)-3-methyl-2-trimethylsilyloxybutanenitrile?
The IUPAC name of (2S)-3-methyl-2-trimethylsilyloxybutanenitrile (CID 102329282) is (2S)-3-methyl-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for (2S)-3-methyl-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for (2S)-3-methyl-2-trimethylsilyloxybutanenitrile is CC(C)[C@@H](C#N)O[Si](C)(C)C.
What is the InChIKey of (2S)-3-methyl-2-trimethylsilyloxybutanenitrile?
The InChIKey is QLKKZICTVGOYHN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NOSi/c1-7(2)8(6-9)10-11(3,4)5/h7-8H,1-5H3/t8-/m1/s1.
What are the key properties of (2S)-3-methyl-2-trimethylsilyloxybutanenitrile?
(2S)-3-methyl-2-trimethylsilyloxybutanenitrile has a molecular weight of 171.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 102329282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).