2-ethyl-3-triphenylsilyloxyiminobutanenitrile

C24H24N2OSi — CID 140887497

IUPAC2-ethyl-3-triphenylsilyloxyiminobutanenitrile
SMILESCCC(C#N)C(C)=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2OSi/c1-3-21(19-25)20(2)26-27-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21H,3H2,1-2H3
InChIKeyAMRRPIGXDRNDNC-UHFFFAOYSA-N
MW384.56 g/mol
LogP3.60
Rot. Bonds7

About 2-ethyl-3-triphenylsilyloxyiminobutanenitrile

2-ethyl-3-triphenylsilyloxyiminobutanenitrile (PubChem CID 140887497) has the molecular formula C24H24N2OSi and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-ethyl-3-triphenylsilyloxyiminobutanenitrile.

Molecular Properties

Compound Name2-ethyl-3-triphenylsilyloxyiminobutanenitrile
PubChem CID140887497
Molecular FormulaC24H24N2OSi
Molecular Weight384.56 g/mol
Exact Mass384.17
IUPAC Name2-ethyl-3-triphenylsilyloxyiminobutanenitrile
SMILESCCC(C#N)C(C)=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2OSi/c1-3-21(19-25)20(2)26-27-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21H,3H2,1-2H3
InChIKeyAMRRPIGXDRNDNC-UHFFFAOYSA-N
XLogP3.60
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-ethyl-3-triphenylsilyloxyiminobutanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
(E)-N-triphenylsilyloxybutan-2-imine
CID 87078861
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 87328834
2-methyl-3-triphenylsilyloxyiminopropanenitrile
CID 140887362
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
1,4-diphenyl-N,N'-bis(triphenylsilyloxy)butane-1,4-diimine
CID 154048211
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
CID 87327816
2-(4-phenylbenzoyl)butanenitrile
CID 116923686
triphenylsilyl nitrite
CID 87559816
bis(triphenylsilyloxy)boranylformonitrile
CID 140624150
(3-cyano-4-triphenylsilylhexan-2-yl)boronic acid
CID 154200629

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-triphenylsilyloxyiminobutanenitrile?
The IUPAC name of 2-ethyl-3-triphenylsilyloxyiminobutanenitrile (CID 140887497) is 2-ethyl-3-triphenylsilyloxyiminobutanenitrile.
What is the SMILES notation for 2-ethyl-3-triphenylsilyloxyiminobutanenitrile?
The canonical SMILES for 2-ethyl-3-triphenylsilyloxyiminobutanenitrile is CCC(C#N)C(C)=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethyl-3-triphenylsilyloxyiminobutanenitrile?
The InChIKey is AMRRPIGXDRNDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OSi/c1-3-21(19-25)20(2)26-27-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-triphenylsilyloxyiminobutanenitrile?
2-ethyl-3-triphenylsilyloxyiminobutanenitrile has a molecular weight of 384.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-triphenylsilyloxyiminobutanenitrile is sourced from PubChem (CID 140887497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).