[4-(3-trimethoxysilylpropyl)phenyl] cyanate

C13H19NO4Si — CID 15405388

IUPAC[4-(3-trimethoxysilylpropyl)phenyl] cyanate
SMILESCO[Si](CCCc1ccc(OC#N)cc1)(OC)OC
InChIInChI=1S/C13H19NO4Si/c1-15-19(16-2,17-3)10-4-5-12-6-8-13(9-7-12)18-11-14/h6-9H,4-5,10H2,1-3H3
InChIKeyQHEHVKKGAGWLLB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.36
Rot. Bonds8

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

[4-(3-trimethoxysilylpropyl)phenyl] cyanate (PubChem CID 15405388) has the molecular formula C13H19NO4Si and a molecular weight of 281.38 g/mol. Its IUPAC name is [4-(3-trimethoxysilylpropyl)phenyl] cyanate.

Molecular Properties

Compound Name[4-(3-trimethoxysilylpropyl)phenyl] cyanate
PubChem CID15405388
Molecular FormulaC13H19NO4Si
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[4-(3-trimethoxysilylpropyl)phenyl] cyanate
SMILESCO[Si](CCCc1ccc(OC#N)cc1)(OC)OC
InChIInChI=1S/C13H19NO4Si/c1-15-19(16-2,17-3)10-4-5-12-6-8-13(9-7-12)18-11-14/h6-9H,4-5,10H2,1-3H3
InChIKeyQHEHVKKGAGWLLB-UHFFFAOYSA-N
XLogP2.36
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-trichlorosilylpropyl)phenyl] cyanate
CID 22003246
[4-[3-[[3-(4-cyanatophenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]phenyl] cyanate
CID 102021528
[4-[3-(4-cyanatophenyl)propyl]phenyl] cyanate
CID 23051751
[4-[4-[5-[4-(4-cyanatophenyl)phenyl]pentyl]phenyl]phenyl] cyanate
CID 154951702
trimethoxy-[3-[4-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 139921283
[4-(2-methylprop-2-enyl)phenyl] cyanate
CID 19967623
[4-(3-methylheptyl)phenyl] cyanate
CID 146172291
[4-[4-(4-cyanatophenyl)-2-methylbutyl]phenyl] cyanate
CID 153352200
[4-(cyanomethyl)phenyl] cyanate
CID 67151191
trimethoxy(12-phenyldodecyl)silane
CID 54325157
trimethoxy-[4-[4-(oxiran-2-ylmethoxy)phenyl]butyl]silane
CID 139921264
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814

Frequently Asked Questions

What is the IUPAC name of [4-(3-trimethoxysilylpropyl)phenyl] cyanate?
The IUPAC name of [4-(3-trimethoxysilylpropyl)phenyl] cyanate (CID 15405388) is [4-(3-trimethoxysilylpropyl)phenyl] cyanate.
What is the SMILES notation for [4-(3-trimethoxysilylpropyl)phenyl] cyanate?
The canonical SMILES for [4-(3-trimethoxysilylpropyl)phenyl] cyanate is CO[Si](CCCc1ccc(OC#N)cc1)(OC)OC.
What is the InChIKey of [4-(3-trimethoxysilylpropyl)phenyl] cyanate?
The InChIKey is QHEHVKKGAGWLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4Si/c1-15-19(16-2,17-3)10-4-5-12-6-8-13(9-7-12)18-11-14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of [4-(3-trimethoxysilylpropyl)phenyl] cyanate?
[4-(3-trimethoxysilylpropyl)phenyl] cyanate has a molecular weight of 281.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-trimethoxysilylpropyl)phenyl] cyanate is sourced from PubChem (CID 15405388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).