2,2-dimethylbutanenitrile;silicic acid

C6H15NO4Si — CID 175510249

IUPAC2,2-dimethylbutanenitrile;silicic acid
SMILESCCC(C)(C)C#N.O[Si](O)(O)O
InChIInChI=1S/C6H11N.H4O4Si/c1-4-6(2,3)5-7;1-5(2,3)4/h4H2,1-3H3;1-4H
InChIKeyXDXNOAHSSFTMLD-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.66
Rot. Bonds1

About 2,2-dimethylbutanenitrile;silicic acid

2,2-dimethylbutanenitrile;silicic acid (PubChem CID 175510249) has the molecular formula C6H15NO4Si and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,2-dimethylbutanenitrile;silicic acid.

Molecular Properties

Compound Name2,2-dimethylbutanenitrile;silicic acid
PubChem CID175510249
Molecular FormulaC6H15NO4Si
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2,2-dimethylbutanenitrile;silicic acid
SMILESCCC(C)(C)C#N.O[Si](O)(O)O
InChIInChI=1S/C6H11N.H4O4Si/c1-4-6(2,3)5-7;1-5(2,3)4/h4H2,1-3H3;1-4H
InChIKeyXDXNOAHSSFTMLD-UHFFFAOYSA-N
XLogP-0.66
TPSA104.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbutanenitrile;ethane
CID 144998313
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
(3S)-3-hydroxy-2,2,5,5-tetramethylhexanedinitrile
CID 166777724
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
2,2,6,6-tetramethyl-5-oxooctanenitrile
CID 137482752
ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2,2,5-trimethyl-4-oxohexanenitrile
CID 142310982
2-ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
propane;silicic acid
CID 88762660
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanenitrile;silicic acid?
The IUPAC name of 2,2-dimethylbutanenitrile;silicic acid (CID 175510249) is 2,2-dimethylbutanenitrile;silicic acid.
What is the SMILES notation for 2,2-dimethylbutanenitrile;silicic acid?
The canonical SMILES for 2,2-dimethylbutanenitrile;silicic acid is CCC(C)(C)C#N.O[Si](O)(O)O.
What is the InChIKey of 2,2-dimethylbutanenitrile;silicic acid?
The InChIKey is XDXNOAHSSFTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.H4O4Si/c1-4-6(2,3)5-7;1-5(2,3)4/h4H2,1-3H3;1-4H.
What are the key properties of 2,2-dimethylbutanenitrile;silicic acid?
2,2-dimethylbutanenitrile;silicic acid has a molecular weight of 193.27 g/mol, XLogP of -0.66, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanenitrile;silicic acid is sourced from PubChem (CID 175510249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).