[2-(2-trichlorosilylethyl)phenyl] cyanate

C9H8Cl3NOSi — CID 22003174

IUPAC[2-(2-trichlorosilylethyl)phenyl] cyanate
SMILESN#COc1ccccc1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3NOSi/c10-15(11,12)6-5-8-3-1-2-4-9(8)14-7-13/h1-4H,5-6H2
InChIKeyLIIKOWKEGUXXFK-UHFFFAOYSA-N
MW280.61 g/mol
LogP3.74
Rot. Bonds4

About [2-(2-trichlorosilylethyl)phenyl] cyanate

[2-(2-trichlorosilylethyl)phenyl] cyanate (PubChem CID 22003174) has the molecular formula C9H8Cl3NOSi and a molecular weight of 280.61 g/mol. Its IUPAC name is [2-(2-trichlorosilylethyl)phenyl] cyanate.

Molecular Properties

Compound Name[2-(2-trichlorosilylethyl)phenyl] cyanate
PubChem CID22003174
Molecular FormulaC9H8Cl3NOSi
Molecular Weight280.61 g/mol
Exact Mass278.94
IUPAC Name[2-(2-trichlorosilylethyl)phenyl] cyanate
SMILESN#COc1ccccc1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3NOSi/c10-15(11,12)6-5-8-3-1-2-4-9(8)14-7-13/h1-4H,5-6H2
InChIKeyLIIKOWKEGUXXFK-UHFFFAOYSA-N
XLogP3.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.61
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-trichlorosilylethyl)phenyl] cyanate?
The IUPAC name of [2-(2-trichlorosilylethyl)phenyl] cyanate (CID 22003174) is [2-(2-trichlorosilylethyl)phenyl] cyanate.
What is the SMILES notation for [2-(2-trichlorosilylethyl)phenyl] cyanate?
The canonical SMILES for [2-(2-trichlorosilylethyl)phenyl] cyanate is N#COc1ccccc1CC[Si](Cl)(Cl)Cl.
What is the InChIKey of [2-(2-trichlorosilylethyl)phenyl] cyanate?
The InChIKey is LIIKOWKEGUXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NOSi/c10-15(11,12)6-5-8-3-1-2-4-9(8)14-7-13/h1-4H,5-6H2.
What are the key properties of [2-(2-trichlorosilylethyl)phenyl] cyanate?
[2-(2-trichlorosilylethyl)phenyl] cyanate has a molecular weight of 280.61 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-trichlorosilylethyl)phenyl] cyanate is sourced from PubChem (CID 22003174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).