3-trimethylsilyloxybenzonitrile

C10H13NOSi — CID 4070696

IUPAC3-trimethylsilyloxybenzonitrile
SMILESC[Si](C)(C)Oc1cccc(C#N)c1
InChIInChI=1S/C10H13NOSi/c1-13(2,3)12-10-6-4-5-9(7-10)8-11/h4-7H,1-3H3
InChIKeyGPVGZNKRBRSUAZ-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.77
Rot. Bonds2

About 3-trimethylsilyloxybenzonitrile

3-trimethylsilyloxybenzonitrile (PubChem CID 4070696) has the molecular formula C10H13NOSi and a molecular weight of 191.31 g/mol. Its IUPAC name is 3-trimethylsilyloxybenzonitrile.

Molecular Properties

Compound Name3-trimethylsilyloxybenzonitrile
PubChem CID4070696
Molecular FormulaC10H13NOSi
Molecular Weight191.31 g/mol
Exact Mass191.08
IUPAC Name3-trimethylsilyloxybenzonitrile
SMILESC[Si](C)(C)Oc1cccc(C#N)c1
InChIInChI=1S/C10H13NOSi/c1-13(2,3)12-10-6-4-5-9(7-10)8-11/h4-7H,1-3H3
InChIKeyGPVGZNKRBRSUAZ-UHFFFAOYSA-N
XLogP2.77
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-trimethylsilyloxybenzonitrile?
The IUPAC name of 3-trimethylsilyloxybenzonitrile (CID 4070696) is 3-trimethylsilyloxybenzonitrile.
What is the SMILES notation for 3-trimethylsilyloxybenzonitrile?
The canonical SMILES for 3-trimethylsilyloxybenzonitrile is C[Si](C)(C)Oc1cccc(C#N)c1.
What is the InChIKey of 3-trimethylsilyloxybenzonitrile?
The InChIKey is GPVGZNKRBRSUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOSi/c1-13(2,3)12-10-6-4-5-9(7-10)8-11/h4-7H,1-3H3.
What are the key properties of 3-trimethylsilyloxybenzonitrile?
3-trimethylsilyloxybenzonitrile has a molecular weight of 191.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxybenzonitrile is sourced from PubChem (CID 4070696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).