3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate

C14H28BF4N2O3Si- — CID 174058071

IUPAC3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
SMILESC=CN1C=CN(CCC[Si](OCC)(OCC)OCC)C1.F[B-](F)(F)F
InChIInChI=1S/C14H28N2O3Si.BF4/c1-5-15-11-12-16(14-15)10-9-13-20(17-6-2,18-7-3)19-8-4;2-1(3,4)5/h5,11-12H,1,6-10,13-14H2,2-4H3;/q;-1
InChIKeyZBWGUXBTNFMVEK-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.91
Rot. Bonds11

About 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate

3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate (PubChem CID 174058071) has the molecular formula C14H28BF4N2O3Si- and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate.

Molecular Properties

Compound Name3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
PubChem CID174058071
Molecular FormulaC14H28BF4N2O3Si-
Molecular Weight387.28 g/mol
Exact Mass387.19
IUPAC Name3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
SMILESC=CN1C=CN(CCC[Si](OCC)(OCC)OCC)C1.F[B-](F)(F)F
InChIInChI=1S/C14H28N2O3Si.BF4/c1-5-15-11-12-16(14-15)10-9-13-20(17-6-2,18-7-3)19-8-4;2-1(3,4)5/h5,11-12H,1,6-10,13-14H2,2-4H3;/q;-1
InChIKeyZBWGUXBTNFMVEK-UHFFFAOYSA-N
XLogP3.91
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
CID 175604345
3-(3-ethenylimidazolidin-1-yl)propyl-triethoxysilane
CID 123281277
1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
CID 172862570
1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
CID 173227414
1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
CID 175052158
1-butyl-3-prop-2-enyl-2H-imidazole tetrafluoroborate
CID 174521316
5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
CID 174918742
1-ethenyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-imidazole
CID 175452131
1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
3-(3,5-dipropyl-1,3,5-triazinan-1-yl)propyl-triethoxysilane
CID 153419971
1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
CID 175604352

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
The IUPAC name of 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate (CID 174058071) is 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate.
What is the SMILES notation for 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
The canonical SMILES for 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate is C=CN1C=CN(CCC[Si](OCC)(OCC)OCC)C1.F[B-](F)(F)F.
What is the InChIKey of 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
The InChIKey is ZBWGUXBTNFMVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3Si.BF4/c1-5-15-11-12-16(14-15)10-9-13-20(17-6-2,18-7-3)19-8-4;2-1(3,4)5/h5,11-12H,1,6-10,13-14H2,2-4H3;/q;-1.
What are the key properties of 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate has a molecular weight of 387.28 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate is sourced from PubChem (CID 174058071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).