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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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).