2-ethyl-4-trimethylsilyloxyiminobutanenitrile

C9H18N2OSi — CID 140887655

IUPAC2-ethyl-4-trimethylsilyloxyiminobutanenitrile
SMILESCCC(C#N)CC=NO[Si](C)(C)C
InChIInChI=1S/C9H18N2OSi/c1-5-9(8-10)6-7-11-12-13(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyAJILZNREMDJMCX-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.76
Rot. Bonds5

About 2-ethyl-4-trimethylsilyloxyiminobutanenitrile

2-ethyl-4-trimethylsilyloxyiminobutanenitrile (PubChem CID 140887655) has the molecular formula C9H18N2OSi and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-ethyl-4-trimethylsilyloxyiminobutanenitrile.

Molecular Properties

Compound Name2-ethyl-4-trimethylsilyloxyiminobutanenitrile
PubChem CID140887655
Molecular FormulaC9H18N2OSi
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-4-trimethylsilyloxyiminobutanenitrile
SMILESCCC(C#N)CC=NO[Si](C)(C)C
InChIInChI=1S/C9H18N2OSi/c1-5-9(8-10)6-7-11-12-13(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyAJILZNREMDJMCX-UHFFFAOYSA-N
XLogP2.76
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.76
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'}

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Related Compounds

3-trimethylsilyloxyiminopropanenitrile
CID 140887410
2-ethyl-4-phenylmethoxyiminobutanenitrile
CID 118511405
7-trimethylsilyloxyiminoheptanenitrile
CID 140887661
N,N'-bis(trimethylsilyloxy)butane-1,4-diimine
CID 154048225
N,3,4,5-tetrakis(trimethylsilyloxy)pentan-1-imine
CID 91750499
2-[[chloro(dimethyl)silyl]methyl]butanenitrile
CID 140812527
2-propyl-5-trimethylsilyloxyiminoheptanenitrile
CID 140887599
2-ethyl-4-(methylideneamino)butanenitrile
CID 122461150
2-ethylhept-5-enenitrile
CID 123154860
2-(trimethylsilyloxymethyl)octanenitrile
CID 15064377
4-chloro-2-ethylpentanenitrile
CID 118459280
2-ethyloct-7-enenitrile
CID 87482647

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-trimethylsilyloxyiminobutanenitrile?
The IUPAC name of 2-ethyl-4-trimethylsilyloxyiminobutanenitrile (CID 140887655) is 2-ethyl-4-trimethylsilyloxyiminobutanenitrile.
What is the SMILES notation for 2-ethyl-4-trimethylsilyloxyiminobutanenitrile?
The canonical SMILES for 2-ethyl-4-trimethylsilyloxyiminobutanenitrile is CCC(C#N)CC=NO[Si](C)(C)C.
What is the InChIKey of 2-ethyl-4-trimethylsilyloxyiminobutanenitrile?
The InChIKey is AJILZNREMDJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OSi/c1-5-9(8-10)6-7-11-12-13(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-4-trimethylsilyloxyiminobutanenitrile?
2-ethyl-4-trimethylsilyloxyiminobutanenitrile has a molecular weight of 198.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-trimethylsilyloxyiminobutanenitrile is sourced from PubChem (CID 140887655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).