1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione

C21H45N3O9Si3 — CID 14273482

About 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 14273482) has the molecular formula C21H45N3O9Si3 and a molecular weight of 567.86 g/mol. Its IUPAC name is 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 14273482
• Molecular Formula: C21H45N3O9Si3
• Molecular Weight: 567.86 g/mol
• Exact Mass: 567.25
• IUPAC Name: 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
• SMILES: CO[Si](C)(CCCn1c(=O)n(CCC[Si](C)(OC)OC)c(=O)n(CCC[Si](C)(OC)OC)c1=O)OC
• InChI: InChI=1S/C21H45N3O9Si3/c1-28-34(7,29-2)16-10-13-22-19(25)23(14-11-17-35(8,30-3)31-4)21(27)24(20(22)26)15-12-18-36(9,32-5)33-6/h10-18H2,1-9H3
• InChIKey: VJNOSZDRCFAJTO-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 121.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.86
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (CID 14273482) is 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is CO[Si](C)(CCCn1c(=O)n(CCC[Si](C)(OC)OC)c(=O)n(CCC[Si](C)(OC)OC)c1=O)OC.

What is the InChIKey of 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?

The InChIKey is VJNOSZDRCFAJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O9Si3/c1-28-34(7,29-2)16-10-13-22-19(25)23(14-11-17-35(8,30-3)31-4)21(27)24(20(22)26)15-12-18-36(9,32-5)33-6/h10-18H2,1-9H3.

What are the key properties of 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?

1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 567.86 g/mol, XLogP of 1.44, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5-tris[3-[dimethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 14273482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).