5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile

C12H19NOSi — CID 121016430

IUPAC5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile
SMILESC[Si](C)(C)OC1=CC2CCC1CC2C#N
InChIInChI=1S/C12H19NOSi/c1-15(2,3)14-12-7-9-4-5-10(12)6-11(9)8-13/h7,9-11H,4-6H2,1-3H3
InChIKeyAERARGGBESMPFA-UHFFFAOYSA-N
MW221.38 g/mol
LogP3.29
Rot. Bonds2

About 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile

5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile (PubChem CID 121016430) has the molecular formula C12H19NOSi and a molecular weight of 221.38 g/mol. Its IUPAC name is 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile.

Molecular Properties

Compound Name5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile
PubChem CID121016430
Molecular FormulaC12H19NOSi
Molecular Weight221.38 g/mol
Exact Mass221.12
IUPAC Name5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile
SMILESC[Si](C)(C)OC1=CC2CCC1CC2C#N
InChIInChI=1S/C12H19NOSi/c1-15(2,3)14-12-7-9-4-5-10(12)6-11(9)8-13/h7,9-11H,4-6H2,1-3H3
InChIKeyAERARGGBESMPFA-UHFFFAOYSA-N
XLogP3.29
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile?
The IUPAC name of 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile (CID 121016430) is 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile.
What is the SMILES notation for 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile?
The canonical SMILES for 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile is C[Si](C)(C)OC1=CC2CCC1CC2C#N.
What is the InChIKey of 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile?
The InChIKey is AERARGGBESMPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOSi/c1-15(2,3)14-12-7-9-4-5-10(12)6-11(9)8-13/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile?
5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile has a molecular weight of 221.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carbonitrile is sourced from PubChem (CID 121016430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).