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

C21H45N3O3Si3 — CID 22906190

IUPAC1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](C)(C)CCCn1c(=O)n(CCC[Si](C)(C)C)c(=O)n(CCC[Si](C)(C)C)c1=O
InChIInChI=1S/C21H45N3O3Si3/c1-28(2,3)16-10-13-22-19(25)23(14-11-17-29(4,5)6)21(27)24(20(22)26)15-12-18-30(7,8)9/h10-18H2,1-9H3
InChIKeyJZYBEWHOIJURCF-UHFFFAOYSA-N
MW471.87 g/mol
LogP4.36
Rot. Bonds12

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

1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 22906190) has the molecular formula C21H45N3O3Si3 and a molecular weight of 471.87 g/mol. Its IUPAC name is 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID22906190
Molecular FormulaC21H45N3O3Si3
Molecular Weight471.87 g/mol
Exact Mass471.28
IUPAC Name1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](C)(C)CCCn1c(=O)n(CCC[Si](C)(C)C)c(=O)n(CCC[Si](C)(C)C)c1=O
InChIInChI=1S/C21H45N3O3Si3/c1-28(2,3)16-10-13-22-19(25)23(14-11-17-29(4,5)6)21(27)24(20(22)26)15-12-18-30(7,8)9/h10-18H2,1-9H3
InChIKeyJZYBEWHOIJURCF-UHFFFAOYSA-N
XLogP4.36
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris(3-(trimethoxysilyl)propyl) isocyanurate
CID 117734
Tris-(trimethoxysilylpropyl)isocyanurate
CID 69111220
Tris(triethoxysilylpropyl) isocyanurate
CID 140463927
1,3,5-Tris(3-trifluorosilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 174136093
1,3,5-Tris[3-[difluoro(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136190
1,3,5-Tris[3-[fluoro(dimethyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 174136361
1,3-Bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847520
1,3-Bis[3-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847572
1-[2-[[Dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]ethyl]-3-[2-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847653
1,3-Bis[2-[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847657
1,3-Bis[3-[2-[dimethyl(3-trimethoxysilylpropyl)silyl]ethyl-dimethylsilyl]propyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 177125316
1-(1-Fluoro-3-trimethoxysilylpropyl)-3,5-bis(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
CID 178076951

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 22906190) is 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione is C[Si](C)(C)CCCn1c(=O)n(CCC[Si](C)(C)C)c(=O)n(CCC[Si](C)(C)C)c1=O.
What is the InChIKey of 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JZYBEWHOIJURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O3Si3/c1-28(2,3)16-10-13-22-19(25)23(14-11-17-29(4,5)6)21(27)24(20(22)26)15-12-18-30(7,8)9/h10-18H2,1-9H3.
What are the key properties of 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 471.87 g/mol, XLogP of 4.36, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3-trimethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 22906190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).