3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane

C21H45N3O12Si3 — CID 68612864

IUPAC3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane
SMILESCO[Si](CCCOc1nc(OCCC[Si](OC)(OC)OC)nc(OCCC[Si](OC)(OC)OC)n1)(OC)OC
InChIInChI=1S/C21H45N3O12Si3/c1-25-37(26-2,27-3)16-10-13-34-19-22-20(35-14-11-17-38(28-4,29-5)30-6)24-21(23-19)36-15-12-18-39(31-7,32-8)33-9/h10-18H2,1-9H3
InChIKeyJFCLOGHSXONSHJ-UHFFFAOYSA-N
MW615.86 g/mol
LogP1.81
Rot. Bonds24

About 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane

3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane (PubChem CID 68612864) has the molecular formula C21H45N3O12Si3 and a molecular weight of 615.86 g/mol. Its IUPAC name is 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane
PubChem CID68612864
Molecular FormulaC21H45N3O12Si3
Molecular Weight615.86 g/mol
Exact Mass615.23
IUPAC Name3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane
SMILESCO[Si](CCCOc1nc(OCCC[Si](OC)(OC)OC)nc(OCCC[Si](OC)(OC)OC)n1)(OC)OC
InChIInChI=1S/C21H45N3O12Si3/c1-25-37(26-2,27-3)16-10-13-34-19-22-20(35-14-11-17-38(28-4,29-5)30-6)24-21(23-19)36-15-12-18-39(31-7,32-8)33-9/h10-18H2,1-9H3
InChIKeyJFCLOGHSXONSHJ-UHFFFAOYSA-N
XLogP1.81
TPSA149.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.86
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane?
The IUPAC name of 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane (CID 68612864) is 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane.
What is the SMILES notation for 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane?
The canonical SMILES for 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane is CO[Si](CCCOc1nc(OCCC[Si](OC)(OC)OC)nc(OCCC[Si](OC)(OC)OC)n1)(OC)OC.
What is the InChIKey of 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane?
The InChIKey is JFCLOGHSXONSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O12Si3/c1-25-37(26-2,27-3)16-10-13-34-19-22-20(35-14-11-17-38(28-4,29-5)30-6)24-21(23-19)36-15-12-18-39(31-7,32-8)33-9/h10-18H2,1-9H3.
What are the key properties of 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane?
3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane has a molecular weight of 615.86 g/mol, XLogP of 1.81, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis(3-trimethoxysilylpropoxy)-1,3,5-triazin-2-yl]oxy]propyl-trimethoxysilane is sourced from PubChem (CID 68612864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).