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

C24H50BF4N2O3Si- — CID 175604352

IUPAC1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
SMILESCCCCCCCCCCCCN1C=CN(C(CC)[Si](OCC)(OCC)OCC)C1.F[B-](F)(F)F
InChIInChI=1S/C24H50N2O3Si.BF4/c1-6-11-12-13-14-15-16-17-18-19-20-25-21-22-26(23-25)24(7-2)30(27-8-3,28-9-4)29-10-5;2-1(3,4)5/h21-22,24H,6-20,23H2,1-5H3;/q;-1
InChIKeyAVJOQRRGLJKMSW-UHFFFAOYSA-N
MW529.57 g/mol
LogP7.62
Rot. Bonds20

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

1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate (PubChem CID 175604352) has the molecular formula C24H50BF4N2O3Si- and a molecular weight of 529.57 g/mol. Its IUPAC name is 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate.

Molecular Properties

Compound Name1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
PubChem CID175604352
Molecular FormulaC24H50BF4N2O3Si-
Molecular Weight529.57 g/mol
Exact Mass529.36
IUPAC Name1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
SMILESCCCCCCCCCCCCN1C=CN(C(CC)[Si](OCC)(OCC)OCC)C1.F[B-](F)(F)F
InChIInChI=1S/C24H50N2O3Si.BF4/c1-6-11-12-13-14-15-16-17-18-19-20-25-21-22-26(23-25)24(7-2)30(27-8-3,28-9-4)29-10-5;2-1(3,4)5/h21-22,24H,6-20,23H2,1-5H3;/q;-1
InChIKeyAVJOQRRGLJKMSW-UHFFFAOYSA-N
XLogP7.62
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.57
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-nonadecyl-3-propan-2-yl-2H-imidazole
CID 69389756
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670

Frequently Asked Questions

What is the IUPAC name of 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
The IUPAC name of 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate (CID 175604352) is 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate.
What is the SMILES notation for 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
The canonical SMILES for 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate is CCCCCCCCCCCCN1C=CN(C(CC)[Si](OCC)(OCC)OCC)C1.F[B-](F)(F)F.
What is the InChIKey of 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
The InChIKey is AVJOQRRGLJKMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O3Si.BF4/c1-6-11-12-13-14-15-16-17-18-19-20-25-21-22-26(23-25)24(7-2)30(27-8-3,28-9-4)29-10-5;2-1(3,4)5/h21-22,24H,6-20,23H2,1-5H3;/q;-1.
What are the key properties of 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate?
1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate has a molecular weight of 529.57 g/mol, XLogP of 7.62, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dodecyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate is sourced from PubChem (CID 175604352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).