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

C15H33N3O12Si3 — CID 67432454

IUPAC1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](Cn1c(=O)n(C[Si](OC)(OC)OC)c(=O)n(C[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C15H33N3O12Si3/c1-22-31(23-2,24-3)10-16-13(19)17(11-32(25-4,26-5)27-6)15(21)18(14(16)20)12-33(28-7,29-8)30-9/h10-12H2,1-9H3
InChIKeyMUJCHNNYOLUBFA-UHFFFAOYSA-N
MW531.70 g/mol
LogP-2.58
Rot. Bonds15

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

1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 67432454) has the molecular formula C15H33N3O12Si3 and a molecular weight of 531.70 g/mol. Its IUPAC name is 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID67432454
Molecular FormulaC15H33N3O12Si3
Molecular Weight531.70 g/mol
Exact Mass531.14
IUPAC Name1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](Cn1c(=O)n(C[Si](OC)(OC)OC)c(=O)n(C[Si](OC)(OC)OC)c1=O)(OC)OC
InChIInChI=1S/C15H33N3O12Si3/c1-22-31(23-2,24-3)10-16-13(19)17(11-32(25-4,26-5)27-6)15(21)18(14(16)20)12-33(28-7,29-8)30-9/h10-12H2,1-9H3
InChIKeyMUJCHNNYOLUBFA-UHFFFAOYSA-N
XLogP-2.58
TPSA149.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.70
LogP ≤ 5-2.58
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(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 67432454) is 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is CO[Si](Cn1c(=O)n(C[Si](OC)(OC)OC)c(=O)n(C[Si](OC)(OC)OC)c1=O)(OC)OC.
What is the InChIKey of 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is MUJCHNNYOLUBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O12Si3/c1-22-31(23-2,24-3)10-16-13(19)17(11-32(25-4,26-5)27-6)15(21)18(14(16)20)12-33(28-7,29-8)30-9/h10-12H2,1-9H3.
What are the key properties of 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 531.70 g/mol, XLogP of -2.58, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67432454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).