3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane

C12H26N2O3Si — CID 2760691

IUPAC3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCN1CC=NC1)(OCC)OCC
InChIInChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h8H,4-7,9-12H2,1-3H3
InChIKeyNQUOMFKFPJKYPJ-UHFFFAOYSA-N
MW274.44 g/mol
LogP1.77
Rot. Bonds10

About 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane

3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane (PubChem CID 2760691) has the molecular formula C12H26N2O3Si and a molecular weight of 274.44 g/mol. Its IUPAC name is 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane
PubChem CID2760691
Molecular FormulaC12H26N2O3Si
Molecular Weight274.44 g/mol
Exact Mass274.17
IUPAC Name3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCN1CC=NC1)(OCC)OCC
InChIInChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h8H,4-7,9-12H2,1-3H3
InChIKeyNQUOMFKFPJKYPJ-UHFFFAOYSA-N
XLogP1.77
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 51.77
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-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane?
The IUPAC name of 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane (CID 2760691) is 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane is CCO[Si](CCCN1CC=NC1)(OCC)OCC.
What is the InChIKey of 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane?
The InChIKey is NQUOMFKFPJKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h8H,4-7,9-12H2,1-3H3.
What are the key properties of 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane?
3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane has a molecular weight of 274.44 g/mol, XLogP of 1.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroimidazol-3-yl)propyl-triethoxysilane is sourced from PubChem (CID 2760691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).