1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione

C27H57N3O6Si3 — CID 58897733

About 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 58897733) has the molecular formula C27H57N3O6Si3 and a molecular weight of 604.03 g/mol. Its IUPAC name is 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 58897733
• Molecular Formula: C27H57N3O6Si3
• Molecular Weight: 604.03 g/mol
• Exact Mass: 603.36
• IUPAC Name: 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
• SMILES: CC(C)O[Si](C)(C)CCCn1c(=O)n(CCC[Si](C)(C)OC(C)C)c(=O)n(CCC[Si](C)(C)OC(C)C)c1=O
• InChI: InChI=1S/C27H57N3O6Si3/c1-22(2)34-37(7,8)19-13-16-28-25(31)29(17-14-20-38(9,10)35-23(3)4)27(33)30(26(28)32)18-15-21-39(11,12)36-24(5)6/h22-24H,13-21H2,1-12H3
• InChIKey: UODSXXODDQTKSQ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 93.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.03
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (CID 58897733) is 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

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

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

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

The InChIKey is UODSXXODDQTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N3O6Si3/c1-22(2)34-37(7,8)19-13-16-28-25(31)29(17-14-20-38(9,10)35-23(3)4)27(33)30(26(28)32)18-15-21-39(11,12)36-24(5)6/h22-24H,13-21H2,1-12H3.

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

1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 604.03 g/mol, XLogP of 5.23, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,5-tris[3-[dimethyl(propan-2-yloxy)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 58897733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).