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

C21H45N3O12Si3 — CID 69111220

IUPAC1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCC(n1c(=O)n(C(CC)[Si](OC)(OC)OC)c(=O)n(C(CC)[Si](OC)(OC)OC)c1=O)[Si](OC)(OC)OC
InChIInChI=1S/C21H45N3O12Si3/c1-13-16(37(28-4,29-5)30-6)22-19(25)23(17(14-2)38(31-7,32-8)33-9)21(27)24(20(22)26)18(15-3)39(34-10,35-11)36-12/h16-18H,13-15H2,1-12H3
InChIKeyAJAHYQZMIBSENG-UHFFFAOYSA-N
MW615.86 g/mol
LogP0.28
Rot. Bonds18

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

1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 69111220) has the molecular formula C21H45N3O12Si3 and a molecular weight of 615.86 g/mol. Its IUPAC name is 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID69111220
Molecular FormulaC21H45N3O12Si3
Molecular Weight615.86 g/mol
Exact Mass615.23
IUPAC Name1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCC(n1c(=O)n(C(CC)[Si](OC)(OC)OC)c(=O)n(C(CC)[Si](OC)(OC)OC)c1=O)[Si](OC)(OC)OC
InChIInChI=1S/C21H45N3O12Si3/c1-13-16(37(28-4,29-5)30-6)22-19(25)23(17(14-2)38(31-7,32-8)33-9)21(27)24(20(22)26)18(15-3)39(34-10,35-11)36-12/h16-18H,13-15H2,1-12H3
InChIKeyAJAHYQZMIBSENG-UHFFFAOYSA-N
XLogP0.28
TPSA149.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.86
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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(triethoxysilylpropyl) isocyanurate
CID 140463927
1-(2,2,3,3,3-Pentafluoropropyl)-3,5-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 153313595
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-Fluoroethyl)-3,5-bis[3-(2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 176847617
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
1,3-Bis[(triethoxysilyl)methyl]tetrahydropyrimidin-2-one
CID 129791960

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 69111220) is 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is CCC(n1c(=O)n(C(CC)[Si](OC)(OC)OC)c(=O)n(C(CC)[Si](OC)(OC)OC)c1=O)[Si](OC)(OC)OC.
What is the InChIKey of 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AJAHYQZMIBSENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O12Si3/c1-13-16(37(28-4,29-5)30-6)22-19(25)23(17(14-2)38(31-7,32-8)33-9)21(27)24(20(22)26)18(15-3)39(34-10,35-11)36-12/h16-18H,13-15H2,1-12H3.
What are the key properties of 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 615.86 g/mol, XLogP of 0.28, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(1-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 69111220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).