dimethylsilyl cyanide

C3H6NSi — CID 23361477

IUPAC—
SMILESC[Si](C)C#N
InChIInChI=1S/C3H6NSi/c1-5(2)3-4/h1-2H3
InChIKeyHWTRAUXMIYKXQI-UHFFFAOYSA-N
MW84.17 g/mol
LogP0.80
Rot. Bonds

About dimethylsilyl cyanide

dimethylsilyl cyanide (PubChem CID 23361477) has the molecular formula C3H6NSi and a molecular weight of 84.17 g/mol.

Molecular Properties

Compound Namedimethylsilyl cyanide
PubChem CID23361477
Molecular FormulaC3H6NSi
Molecular Weight84.17 g/mol
Exact Mass84.03
IUPAC Name—
SMILESC[Si](C)C#N
InChIInChI=1S/C3H6NSi/c1-5(2)3-4/h1-2H3
InChIKeyHWTRAUXMIYKXQI-UHFFFAOYSA-N
XLogP0.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.17
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;triacontahydrate
CID 141398921
acetonitrile;hydron
CID 22154984
tris(acetonitrile);chromium
CID 160909173
acetonitrile;alumane
CID 174397920
tris(acetonitrile);zirconium
CID 159931297
acetonitrile;molecular nitrogen
CID 142623537
acetonitrile;ethane-1,2-dithiol
CID 174824763
CID 173409915
CID 173409915
methyliminocyanamide
CID 91505024
acetonitrile;titanium(4+);tetrachloride
CID 174780013
Methylsilanecarbonitrile
CID 13348488
magnesium;acetonitrile;hydride
CID 175350434

Frequently Asked Questions

What is the IUPAC name of dimethylsilyl cyanide?
The IUPAC name of dimethylsilyl cyanide (CID 23361477) is not available.
What is the SMILES notation for dimethylsilyl cyanide?
The canonical SMILES for dimethylsilyl cyanide is C[Si](C)C#N.
What is the InChIKey of dimethylsilyl cyanide?
The InChIKey is HWTRAUXMIYKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NSi/c1-5(2)3-4/h1-2H3.
What are the key properties of dimethylsilyl cyanide?
dimethylsilyl cyanide has a molecular weight of 84.17 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl cyanide is sourced from PubChem (CID 23361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).