triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane

C30H69N3O9Si3 — CID 175916402

IUPACtriethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane
SMILES[2H]C1N(CCC[Si](OCC)(OCC)OCC)C([2H])N(CCC[Si](OCC)(OCC)OCC)C([2H])N1CCC[Si](OCC)(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/i28D,29D,30D
InChIKeyZIEUYEMILMNSQK-LQTIZFPBSA-N
MW703.17 g/mol
LogP5.09
Rot. Bonds30

About triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane

triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane (PubChem CID 175916402) has the molecular formula C30H69N3O9Si3 and a molecular weight of 703.17 g/mol. Its IUPAC name is triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane
PubChem CID175916402
Molecular FormulaC30H69N3O9Si3
Molecular Weight703.17 g/mol
Exact Mass702.45
IUPAC Nametriethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane
SMILES[2H]C1N(CCC[Si](OCC)(OCC)OCC)C([2H])N(CCC[Si](OCC)(OCC)OCC)C([2H])N1CCC[Si](OCC)(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/i28D,29D,30D
InChIKeyZIEUYEMILMNSQK-LQTIZFPBSA-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 ≤ 500703.17
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 triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane?
The IUPAC name of triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane (CID 175916402) is triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane is [2H]C1N(CCC[Si](OCC)(OCC)OCC)C([2H])N(CCC[Si](OCC)(OCC)OCC)C([2H])N1CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane?
The InChIKey is ZIEUYEMILMNSQK-LQTIZFPBSA-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/i28D,29D,30D.
What are the key properties of triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane?
triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane has a molecular weight of 703.17 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 triethoxy-[3-[2,4,6-trideuterio-3,5-bis(3-triethoxysilylpropyl)-1,3,5-triazinan-1-yl]propyl]silane is sourced from PubChem (CID 175916402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).