2-methoxysilyl-2-methylbutanenitrile

C6H13NOSi — CID 174156328

IUPAC2-methoxysilyl-2-methylbutanenitrile
SMILESCCC(C)(C#N)[SiH2]OC
InChIInChI=1S/C6H13NOSi/c1-4-6(2,5-7)9-8-3/h4,9H2,1-3H3
InChIKeyKZBQYZOYLICEKT-UHFFFAOYSA-N
MW143.26 g/mol
LogP0.83
Rot. Bonds3

About 2-methoxysilyl-2-methylbutanenitrile

2-methoxysilyl-2-methylbutanenitrile (PubChem CID 174156328) has the molecular formula C6H13NOSi and a molecular weight of 143.26 g/mol. Its IUPAC name is 2-methoxysilyl-2-methylbutanenitrile.

Molecular Properties

Compound Name2-methoxysilyl-2-methylbutanenitrile
PubChem CID174156328
Molecular FormulaC6H13NOSi
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name2-methoxysilyl-2-methylbutanenitrile
SMILESCCC(C)(C#N)[SiH2]OC
InChIInChI=1S/C6H13NOSi/c1-4-6(2,5-7)9-8-3/h4,9H2,1-3H3
InChIKeyKZBQYZOYLICEKT-UHFFFAOYSA-N
XLogP0.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbutanenitrile;ethane
CID 144998313
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
2-(hydroxymethyl)-2-methoxybutanenitrile
CID 123789746
methoxy-[1,1,2,2,2-pentakis(methoxysilyl)ethyl]silane
CID 123767373
methoxy(methyl)silane;propane
CID 123732406
3-cyanopentan-3-ylphosphanium
CID 173400189
(2R)-2-cyano-3,3-diethoxybutan-2-olate
CID 101141232
2-bromo-4-methoxy-2-methylbutanenitrile
CID 83090478
2-cyanobutane-2-sulfonic acid
CID 154239244
2,2-dimethylbutanenitrile;silicic acid
CID 175510249
butane-1,1,2,2-tetracarbonitrile
CID 13148942

Frequently Asked Questions

What is the IUPAC name of 2-methoxysilyl-2-methylbutanenitrile?
The IUPAC name of 2-methoxysilyl-2-methylbutanenitrile (CID 174156328) is 2-methoxysilyl-2-methylbutanenitrile.
What is the SMILES notation for 2-methoxysilyl-2-methylbutanenitrile?
The canonical SMILES for 2-methoxysilyl-2-methylbutanenitrile is CCC(C)(C#N)[SiH2]OC.
What is the InChIKey of 2-methoxysilyl-2-methylbutanenitrile?
The InChIKey is KZBQYZOYLICEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOSi/c1-4-6(2,5-7)9-8-3/h4,9H2,1-3H3.
What are the key properties of 2-methoxysilyl-2-methylbutanenitrile?
2-methoxysilyl-2-methylbutanenitrile has a molecular weight of 143.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysilyl-2-methylbutanenitrile is sourced from PubChem (CID 174156328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).