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

C27H57N3O12Si3 — CID 67954084

IUPAC1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](CCn1c(=O)n(CC[Si](OCC)(OCC)OCC)c(=O)n(CC[Si](OCC)(OCC)OCC)c1=O)(OCC)OCC
InChIInChI=1S/C27H57N3O12Si3/c1-10-34-43(35-11-2,36-12-3)22-19-28-25(31)29(20-23-44(37-13-4,38-14-5)39-15-6)27(33)30(26(28)32)21-24-45(40-16-7,41-17-8)42-18-9/h10-24H2,1-9H3
InChIKeySGBSZHYVGWJMSA-UHFFFAOYSA-N
MW700.02 g/mol
LogP2.32
Rot. Bonds27

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

1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 67954084) has the molecular formula C27H57N3O12Si3 and a molecular weight of 700.02 g/mol. Its IUPAC name is 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID67954084
Molecular FormulaC27H57N3O12Si3
Molecular Weight700.02 g/mol
Exact Mass699.33
IUPAC Name1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](CCn1c(=O)n(CC[Si](OCC)(OCC)OCC)c(=O)n(CC[Si](OCC)(OCC)OCC)c1=O)(OCC)OCC
InChIInChI=1S/C27H57N3O12Si3/c1-10-34-43(35-11-2,36-12-3)22-19-28-25(31)29(20-23-44(37-13-4,38-14-5)39-15-6)27(33)30(26(28)32)21-24-45(40-16-7,41-17-8)42-18-9/h10-24H2,1-9H3
InChIKeySGBSZHYVGWJMSA-UHFFFAOYSA-N
XLogP2.32
TPSA149.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.02
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

Tris(3-(trimethoxysilyl)propyl) isocyanurate
CID 117734
Tris(triethoxysilylmethyl) isocyanurate
CID 67431823
Tris-(trimethoxysilylpropyl)isocyanurate
CID 69111220
Tris(triethoxysilylpropyl) isocyanurate
CID 140463927
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
1,3,5-Tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 13139850
1,3-Bis[(triethoxysilyl)methyl]tetrahydropyrimidin-2-one
CID 129791960

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione (CID 67954084) is 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione is CCO[Si](CCn1c(=O)n(CC[Si](OCC)(OCC)OCC)c(=O)n(CC[Si](OCC)(OCC)OCC)c1=O)(OCC)OCC.
What is the InChIKey of 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SGBSZHYVGWJMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N3O12Si3/c1-10-34-43(35-11-2,36-12-3)22-19-28-25(31)29(20-23-44(37-13-4,38-14-5)39-15-6)27(33)30(26(28)32)21-24-45(40-16-7,41-17-8)42-18-9/h10-24H2,1-9H3.
What are the key properties of 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 700.02 g/mol, XLogP of 2.32, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67954084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).