2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile

C13H17NSi — CID 102478898

IUPAC2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile
SMILESCC1(CC#N)C[Si](C)(C)c2ccccc21
InChIInChI=1S/C13H17NSi/c1-13(8-9-14)10-15(2,3)12-7-5-4-6-11(12)13/h4-7H,8,10H2,1-3H3
InChIKeyOJVDOUWNTKTHGV-UHFFFAOYSA-N
MW215.37 g/mol
LogP2.79
Rot. Bonds1

About 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile

2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile (PubChem CID 102478898) has the molecular formula C13H17NSi and a molecular weight of 215.37 g/mol. Its IUPAC name is 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile
PubChem CID102478898
Molecular FormulaC13H17NSi
Molecular Weight215.37 g/mol
Exact Mass215.11
IUPAC Name2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile
SMILESCC1(CC#N)C[Si](C)(C)c2ccccc21
InChIInChI=1S/C13H17NSi/c1-13(8-9-14)10-15(2,3)12-7-5-4-6-11(12)13/h4-7H,8,10H2,1-3H3
InChIKeyOJVDOUWNTKTHGV-UHFFFAOYSA-N
XLogP2.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 52.79
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

trimethyl-[2-phenyl-1-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)propan-2-yl]oxysilane
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(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
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2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
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2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile
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1,1,3,3-tetramethyl-2,1-benzoxasilole
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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile?
The IUPAC name of 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile (CID 102478898) is 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile?
The canonical SMILES for 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile is CC1(CC#N)C[Si](C)(C)c2ccccc21.
What is the InChIKey of 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile?
The InChIKey is OJVDOUWNTKTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NSi/c1-13(8-9-14)10-15(2,3)12-7-5-4-6-11(12)13/h4-7H,8,10H2,1-3H3.
What are the key properties of 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile?
2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile has a molecular weight of 215.37 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile is sourced from PubChem (CID 102478898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).