1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione

C24H51N3O12Si3 — CID 67431823

IUPAC1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](Cn1c(=O)n(C[Si](OCC)(OCC)OCC)c(=O)n(C[Si](OCC)(OCC)OCC)c1=O)(OCC)OCC
InChIInChI=1S/C24H51N3O12Si3/c1-10-31-40(32-11-2,33-12-3)19-25-22(28)26(20-41(34-13-4,35-14-5)36-15-6)24(30)27(23(25)29)21-42(37-16-7,38-17-8)39-18-9/h10-21H2,1-9H3
InChIKeyAQTUOADIOMKTPZ-UHFFFAOYSA-N
MW657.94 g/mol
LogP0.93
Rot. Bonds24

About 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione

1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 67431823) has the molecular formula C24H51N3O12Si3 and a molecular weight of 657.94 g/mol. Its IUPAC name is 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID67431823
Molecular FormulaC24H51N3O12Si3
Molecular Weight657.94 g/mol
Exact Mass657.28
IUPAC Name1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](Cn1c(=O)n(C[Si](OCC)(OCC)OCC)c(=O)n(C[Si](OCC)(OCC)OCC)c1=O)(OCC)OCC
InChIInChI=1S/C24H51N3O12Si3/c1-10-31-40(32-11-2,33-12-3)19-25-22(28)26(20-41(34-13-4,35-14-5)36-15-6)24(30)27(23(25)29)21-42(37-16-7,38-17-8)39-18-9/h10-21H2,1-9H3
InChIKeyAQTUOADIOMKTPZ-UHFFFAOYSA-N
XLogP0.93
TPSA149.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.94
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 67431823) is 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is CCO[Si](Cn1c(=O)n(C[Si](OCC)(OCC)OCC)c(=O)n(C[Si](OCC)(OCC)OCC)c1=O)(OCC)OCC.
What is the InChIKey of 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AQTUOADIOMKTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3O12Si3/c1-10-31-40(32-11-2,33-12-3)19-25-22(28)26(20-41(34-13-4,35-14-5)36-15-6)24(30)27(23(25)29)21-42(37-16-7,38-17-8)39-18-9/h10-21H2,1-9H3.
What are the key properties of 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 657.94 g/mol, XLogP of 0.93, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67431823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).