4-trimethylsilylbenzonitrile

C10H13NSi — CID 11829958

IUPAC4-trimethylsilylbenzonitrile
SMILESC[Si](C)(C)c1ccc(C#N)cc1
InChIInChI=1S/C10H13NSi/c1-12(2,3)10-6-4-9(8-11)5-7-10/h4-7H,1-3H3
InChIKeyVLMZJZUVZAHCFT-UHFFFAOYSA-N
MW175.31 g/mol
LogP2.10
Rot. Bonds1

About 4-trimethylsilylbenzonitrile

4-trimethylsilylbenzonitrile (PubChem CID 11829958) has the molecular formula C10H13NSi and a molecular weight of 175.31 g/mol. Its IUPAC name is 4-trimethylsilylbenzonitrile.

Molecular Properties

Compound Name4-trimethylsilylbenzonitrile
PubChem CID11829958
Molecular FormulaC10H13NSi
Molecular Weight175.31 g/mol
Exact Mass175.08
IUPAC Name4-trimethylsilylbenzonitrile
SMILESC[Si](C)(C)c1ccc(C#N)cc1
InChIInChI=1S/C10H13NSi/c1-12(2,3)10-6-4-9(8-11)5-7-10/h4-7H,1-3H3
InChIKeyVLMZJZUVZAHCFT-UHFFFAOYSA-N
XLogP2.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylbenzonitrile?
The IUPAC name of 4-trimethylsilylbenzonitrile (CID 11829958) is 4-trimethylsilylbenzonitrile.
What is the SMILES notation for 4-trimethylsilylbenzonitrile?
The canonical SMILES for 4-trimethylsilylbenzonitrile is C[Si](C)(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-trimethylsilylbenzonitrile?
The InChIKey is VLMZJZUVZAHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NSi/c1-12(2,3)10-6-4-9(8-11)5-7-10/h4-7H,1-3H3.
What are the key properties of 4-trimethylsilylbenzonitrile?
4-trimethylsilylbenzonitrile has a molecular weight of 175.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbenzonitrile is sourced from PubChem (CID 11829958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).