3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane

C30H69N3O9Si3 — CID 12510731

IUPAC3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane
SMILESCCO[Si](CCCN1CN(CCC[Si](OCC)(OCC)OCC)CN(CCC[Si](OCC)(OCC)OCC)C1)(OCC)OCC
InChIInChI=1S/C30H69N3O9Si3/c1-10-34-43(35-11-2,36-12-3)25-19-22-31-28-32(23-20-26-44(37-13-4,38-14-5)39-15-6)30-33(29-31)24-21-27-45(40-16-7,41-17-8)42-18-9/h10-30H2,1-9H3
InChIKeyZIEUYEMILMNSQK-UHFFFAOYSA-N
MW700.15 g/mol
LogP5.09
Rot. Bonds30

About 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane

3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane (PubChem CID 12510731) has the molecular formula C30H69N3O9Si3 and a molecular weight of 700.15 g/mol. Its IUPAC name is 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane.

Molecular Properties

Compound Name3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane
PubChem CID12510731
Molecular FormulaC30H69N3O9Si3
Molecular Weight700.15 g/mol
Exact Mass699.43
IUPAC Name3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane
SMILESCCO[Si](CCCN1CN(CCC[Si](OCC)(OCC)OCC)CN(CCC[Si](OCC)(OCC)OCC)C1)(OCC)OCC
InChIInChI=1S/C30H69N3O9Si3/c1-10-34-43(35-11-2,36-12-3)25-19-22-31-28-32(23-20-26-44(37-13-4,38-14-5)39-15-6)30-33(29-31)24-21-27-45(40-16-7,41-17-8)42-18-9/h10-30H2,1-9H3
InChIKeyZIEUYEMILMNSQK-UHFFFAOYSA-N
XLogP5.09
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.15
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane?
The IUPAC name of 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane (CID 12510731) is 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane.
What is the SMILES notation for 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane?
The canonical SMILES for 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane is CCO[Si](CCCN1CN(CCC[Si](OCC)(OCC)OCC)CN(CCC[Si](OCC)(OCC)OCC)C1)(OCC)OCC.
What is the InChIKey of 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane?
The InChIKey is ZIEUYEMILMNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H69N3O9Si3/c1-10-34-43(35-11-2,36-12-3)25-19-22-31-28-32(23-20-26-44(37-13-4,38-14-5)39-15-6)30-33(29-31)24-21-27-45(40-16-7,41-17-8)42-18-9/h10-30H2,1-9H3.
What are the key properties of 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane?
3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane has a molecular weight of 700.15 g/mol, XLogP of 5.09, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl-triethoxysilane is sourced from PubChem (CID 12510731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).