[4-(2-trichlorosilylpropyl)phenyl] cyanate

C10H10Cl3NOSi — CID 22003189

IUPAC[4-(2-trichlorosilylpropyl)phenyl] cyanate
SMILESCC(Cc1ccc(OC#N)cc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NOSi/c1-8(16(11,12)13)6-9-2-4-10(5-3-9)15-7-14/h2-5,8H,6H2,1H3
InChIKeyKVMLSXKEHOFITA-UHFFFAOYSA-N
MW294.64 g/mol
LogP4.13
Rot. Bonds4

About [4-(2-trichlorosilylpropyl)phenyl] cyanate

[4-(2-trichlorosilylpropyl)phenyl] cyanate (PubChem CID 22003189) has the molecular formula C10H10Cl3NOSi and a molecular weight of 294.64 g/mol. Its IUPAC name is [4-(2-trichlorosilylpropyl)phenyl] cyanate.

Molecular Properties

Compound Name[4-(2-trichlorosilylpropyl)phenyl] cyanate
PubChem CID22003189
Molecular FormulaC10H10Cl3NOSi
Molecular Weight294.64 g/mol
Exact Mass292.96
IUPAC Name[4-(2-trichlorosilylpropyl)phenyl] cyanate
SMILESCC(Cc1ccc(OC#N)cc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H10Cl3NOSi/c1-8(16(11,12)13)6-9-2-4-10(5-3-9)15-7-14/h2-5,8H,6H2,1H3
InChIKeyKVMLSXKEHOFITA-UHFFFAOYSA-N
XLogP4.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.64
LogP ≤ 54.13
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 [4-(2-trichlorosilylpropyl)phenyl] cyanate?
The IUPAC name of [4-(2-trichlorosilylpropyl)phenyl] cyanate (CID 22003189) is [4-(2-trichlorosilylpropyl)phenyl] cyanate.
What is the SMILES notation for [4-(2-trichlorosilylpropyl)phenyl] cyanate?
The canonical SMILES for [4-(2-trichlorosilylpropyl)phenyl] cyanate is CC(Cc1ccc(OC#N)cc1)[Si](Cl)(Cl)Cl.
What is the InChIKey of [4-(2-trichlorosilylpropyl)phenyl] cyanate?
The InChIKey is KVMLSXKEHOFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NOSi/c1-8(16(11,12)13)6-9-2-4-10(5-3-9)15-7-14/h2-5,8H,6H2,1H3.
What are the key properties of [4-(2-trichlorosilylpropyl)phenyl] cyanate?
[4-(2-trichlorosilylpropyl)phenyl] cyanate has a molecular weight of 294.64 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-trichlorosilylpropyl)phenyl] cyanate is sourced from PubChem (CID 22003189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).