[4-(3-trichlorosilylpropyl)phenyl] cyanate

C10H10Cl3NOSi — CID 22003246

IUPAC[4-(3-trichlorosilylpropyl)phenyl] cyanate
SMILESN#COc1ccc(CCC[Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H10Cl3NOSi/c11-16(12,13)7-1-2-9-3-5-10(6-4-9)15-8-14/h3-6H,1-2,7H2
InChIKeyBXNGNBVQXSVIKX-UHFFFAOYSA-N
MW294.64 g/mol
LogP4.13
Rot. Bonds5

About [4-(3-trichlorosilylpropyl)phenyl] cyanate

[4-(3-trichlorosilylpropyl)phenyl] cyanate (PubChem CID 22003246) has the molecular formula C10H10Cl3NOSi and a molecular weight of 294.64 g/mol. Its IUPAC name is [4-(3-trichlorosilylpropyl)phenyl] cyanate.

Molecular Properties

Compound Name[4-(3-trichlorosilylpropyl)phenyl] cyanate
PubChem CID22003246
Molecular FormulaC10H10Cl3NOSi
Molecular Weight294.64 g/mol
Exact Mass292.96
IUPAC Name[4-(3-trichlorosilylpropyl)phenyl] cyanate
SMILESN#COc1ccc(CCC[Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H10Cl3NOSi/c11-16(12,13)7-1-2-9-3-5-10(6-4-9)15-8-14/h3-6H,1-2,7H2
InChIKeyBXNGNBVQXSVIKX-UHFFFAOYSA-N
XLogP4.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

[4-[3-(4-cyanatophenyl)propyl]phenyl] cyanate
CID 23051751
[4-(3-trimethoxysilylpropyl)phenyl] cyanate
CID 15405388
[4-[3-[[3-(4-cyanatophenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] cyanate
CID 102021528
[4-[4-[5-[4-(4-cyanatophenyl)phenyl]pentyl]phenyl]phenyl] cyanate
CID 154951702
[4-(cyanomethyl)phenyl] cyanate
CID 67151191
trichloro-[3-(4-phenylphenyl)propyl]silane
CID 69458653
trichloro-[4-(4-chlorophenyl)butyl]silane
CID 69458411
trichloro-[3-(4-ethenylphenyl)propyl]silane
CID 174075092
[4-(3-methylheptyl)phenyl] cyanate
CID 146172291
[4-[4-(4-cyanatophenyl)-2-methylbutyl]phenyl] cyanate
CID 153352200
[4-(2-methylprop-2-enyl)phenyl] cyanate
CID 19967623
trichloro(5-phenylpentyl)silane
CID 59465093

Frequently Asked Questions

What is the IUPAC name of [4-(3-trichlorosilylpropyl)phenyl] cyanate?
The IUPAC name of [4-(3-trichlorosilylpropyl)phenyl] cyanate (CID 22003246) is [4-(3-trichlorosilylpropyl)phenyl] cyanate.
What is the SMILES notation for [4-(3-trichlorosilylpropyl)phenyl] cyanate?
The canonical SMILES for [4-(3-trichlorosilylpropyl)phenyl] cyanate is N#COc1ccc(CCC[Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of [4-(3-trichlorosilylpropyl)phenyl] cyanate?
The InChIKey is BXNGNBVQXSVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NOSi/c11-16(12,13)7-1-2-9-3-5-10(6-4-9)15-8-14/h3-6H,1-2,7H2.
What are the key properties of [4-(3-trichlorosilylpropyl)phenyl] cyanate?
[4-(3-trichlorosilylpropyl)phenyl] cyanate has a molecular weight of 294.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-trichlorosilylpropyl)phenyl] cyanate is sourced from PubChem (CID 22003246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).