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

C15H33N3O9Si3 — CID 67430100

IUPAC1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](C)(Cn1c(=O)n(C[Si](C)(OC)OC)c(=O)n(C[Si](C)(OC)OC)c1=O)OC
InChIInChI=1S/C15H33N3O9Si3/c1-22-28(7,23-2)10-16-13(19)17(11-29(8,24-3)25-4)15(21)18(14(16)20)12-30(9,26-5)27-6/h10-12H2,1-9H3
InChIKeyPZMUBAGIRWGIHC-UHFFFAOYSA-N
MW483.70 g/mol
LogP-1.12
Rot. Bonds12

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

1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 67430100) has the molecular formula C15H33N3O9Si3 and a molecular weight of 483.70 g/mol. Its IUPAC name is 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID67430100
Molecular FormulaC15H33N3O9Si3
Molecular Weight483.70 g/mol
Exact Mass483.15
IUPAC Name1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](C)(Cn1c(=O)n(C[Si](C)(OC)OC)c(=O)n(C[Si](C)(OC)OC)c1=O)OC
InChIInChI=1S/C15H33N3O9Si3/c1-22-28(7,23-2)10-16-13(19)17(11-29(8,24-3)25-4)15(21)18(14(16)20)12-30(9,26-5)27-6/h10-12H2,1-9H3
InChIKeyPZMUBAGIRWGIHC-UHFFFAOYSA-N
XLogP-1.12
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 5-1.12
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 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione (CID 67430100) is 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione is CO[Si](C)(Cn1c(=O)n(C[Si](C)(OC)OC)c(=O)n(C[Si](C)(OC)OC)c1=O)OC.
What is the InChIKey of 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is PZMUBAGIRWGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O9Si3/c1-22-28(7,23-2)10-16-13(19)17(11-29(8,24-3)25-4)15(21)18(14(16)20)12-30(9,26-5)27-6/h10-12H2,1-9H3.
What are the key properties of 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 483.70 g/mol, XLogP of -1.12, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67430100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).