2-hydroxy-2-methylpropanenitrile;trimethylsilane

C7H17NOSi — CID 174744740

IUPAC2-hydroxy-2-methylpropanenitrile;trimethylsilane
SMILESCC(C)(O)C#N.C[SiH](C)C
InChIInChI=1S/C4H7NO.C3H10Si/c1-4(2,6)3-5;1-4(2)3/h6H,1-2H3;4H,1-3H3
InChIKeyJTDUEHFRJRYFBY-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.38
Rot. Bonds

About 2-hydroxy-2-methylpropanenitrile;trimethylsilane

2-hydroxy-2-methylpropanenitrile;trimethylsilane (PubChem CID 174744740) has the molecular formula C7H17NOSi and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-hydroxy-2-methylpropanenitrile;trimethylsilane.

Molecular Properties

Compound Name2-hydroxy-2-methylpropanenitrile;trimethylsilane
PubChem CID174744740
Molecular FormulaC7H17NOSi
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-hydroxy-2-methylpropanenitrile;trimethylsilane
SMILESCC(C)(O)C#N.C[SiH](C)C
InChIInChI=1S/C4H7NO.C3H10Si/c1-4(2,6)3-5;1-4(2)3/h6H,1-2H3;4H,1-3H3
InChIKeyJTDUEHFRJRYFBY-UHFFFAOYSA-N
XLogP1.38
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
2-deuteriooxy-2-methylpropanenitrile
CID 91131204
(3S)-3-dimethylsilyl-3-hydroxy-2,2,6,6-tetramethylheptanenitrile
CID 173113122
2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
CID 10796849
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
CID 10285802
(2R)-2-hydroxy-2,3-dimethylbutanenitrile
CID 12650901
2-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 57349674
2-hydroxy-2-methylpentanenitrile
CID 10898680
2,2-dichloropropanenitrile
CID 5058831
2-methylbut-3-yn-2-ol
CID 21136603
2-fluoro-2-methylpropanenitrile
CID 10129896
2,2,3,3,4-pentamethylhex-4-enenitrile
CID 87497102

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylpropanenitrile;trimethylsilane?
The IUPAC name of 2-hydroxy-2-methylpropanenitrile;trimethylsilane (CID 174744740) is 2-hydroxy-2-methylpropanenitrile;trimethylsilane.
What is the SMILES notation for 2-hydroxy-2-methylpropanenitrile;trimethylsilane?
The canonical SMILES for 2-hydroxy-2-methylpropanenitrile;trimethylsilane is CC(C)(O)C#N.C[SiH](C)C.
What is the InChIKey of 2-hydroxy-2-methylpropanenitrile;trimethylsilane?
The InChIKey is JTDUEHFRJRYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H10Si/c1-4(2,6)3-5;1-4(2)3/h6H,1-2H3;4H,1-3H3.
What are the key properties of 2-hydroxy-2-methylpropanenitrile;trimethylsilane?
2-hydroxy-2-methylpropanenitrile;trimethylsilane has a molecular weight of 159.30 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylpropanenitrile;trimethylsilane is sourced from PubChem (CID 174744740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).