3-(benzotriazol-2-yl)propyl-triethoxysilane

C15H25N3O3Si — CID 168967771

IUPAC3-(benzotriazol-2-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1nc2ccccc2n1)(OCC)OCC
InChIInChI=1S/C15H25N3O3Si/c1-4-19-22(20-5-2,21-6-3)13-9-12-18-16-14-10-7-8-11-15(14)17-18/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyOCUOHIHLEXHRBO-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.87
Rot. Bonds10

About 3-(benzotriazol-2-yl)propyl-triethoxysilane

3-(benzotriazol-2-yl)propyl-triethoxysilane (PubChem CID 168967771) has the molecular formula C15H25N3O3Si and a molecular weight of 323.47 g/mol. Its IUPAC name is 3-(benzotriazol-2-yl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(benzotriazol-2-yl)propyl-triethoxysilane
PubChem CID168967771
Molecular FormulaC15H25N3O3Si
Molecular Weight323.47 g/mol
Exact Mass323.17
IUPAC Name3-(benzotriazol-2-yl)propyl-triethoxysilane
SMILESCCO[Si](CCCn1nc2ccccc2n1)(OCC)OCC
InChIInChI=1S/C15H25N3O3Si/c1-4-19-22(20-5-2,21-6-3)13-9-12-18-16-14-10-7-8-11-15(14)17-18/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyOCUOHIHLEXHRBO-UHFFFAOYSA-N
XLogP2.87
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(benzotriazol-2-yl)propyl-triethoxysilane?
The IUPAC name of 3-(benzotriazol-2-yl)propyl-triethoxysilane (CID 168967771) is 3-(benzotriazol-2-yl)propyl-triethoxysilane.
What is the SMILES notation for 3-(benzotriazol-2-yl)propyl-triethoxysilane?
The canonical SMILES for 3-(benzotriazol-2-yl)propyl-triethoxysilane is CCO[Si](CCCn1nc2ccccc2n1)(OCC)OCC.
What is the InChIKey of 3-(benzotriazol-2-yl)propyl-triethoxysilane?
The InChIKey is OCUOHIHLEXHRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3Si/c1-4-19-22(20-5-2,21-6-3)13-9-12-18-16-14-10-7-8-11-15(14)17-18/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of 3-(benzotriazol-2-yl)propyl-triethoxysilane?
3-(benzotriazol-2-yl)propyl-triethoxysilane has a molecular weight of 323.47 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-2-yl)propyl-triethoxysilane is sourced from PubChem (CID 168967771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).