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

C21H45N3O9Si3 — CID 67430744

IUPAC1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](C)(Cn1c(=O)n(C[Si](C)(OCC)OCC)c(=O)n(C[Si](C)(OCC)OCC)c1=O)OCC
InChIInChI=1S/C21H45N3O9Si3/c1-10-28-34(7,29-11-2)16-22-19(25)23(17-35(8,30-12-3)31-13-4)21(27)24(20(22)26)18-36(9,32-14-5)33-15-6/h10-18H2,1-9H3
InChIKeyCGMFIRZMTMQUNK-UHFFFAOYSA-N
MW567.86 g/mol
LogP1.22
Rot. Bonds18

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

1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 67430744) has the molecular formula C21H45N3O9Si3 and a molecular weight of 567.86 g/mol. Its IUPAC name is 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID67430744
Molecular FormulaC21H45N3O9Si3
Molecular Weight567.86 g/mol
Exact Mass567.25
IUPAC Name1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](C)(Cn1c(=O)n(C[Si](C)(OCC)OCC)c(=O)n(C[Si](C)(OCC)OCC)c1=O)OCC
InChIInChI=1S/C21H45N3O9Si3/c1-10-28-34(7,29-11-2)16-22-19(25)23(17-35(8,30-12-3)31-13-4)21(27)24(20(22)26)18-36(9,32-14-5)33-15-6/h10-18H2,1-9H3
InChIKeyCGMFIRZMTMQUNK-UHFFFAOYSA-N
XLogP1.22
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.86
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Tris(triethoxysilylmethyl) isocyanurate
CID 67431823
1,3-Bis[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]methyl]-5-(fluoromethyl)-1,3,5-triazinane-2,4,6-trione
CID 176847514
1,3,5-Tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 13139850
1,3,5-Tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
CID 14273483
[3,5-Bis(triethoxysilylmethyl)-1,3,5-triazinan-1-yl]methyl-triethoxysilane
CID 67387813
1,3,5-Tris[[dimethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 67430100
1,3,5-Tris(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 67432454
1,3,5-Tris(2-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
CID 67954084
1,3,5-Tris[[methoxy(dimethyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 69122565
1,3,5-Tris[tri(propan-2-yloxy)silylmethyl]-1,3,5-triazinane-2,4,6-trione
CID 140956234
1,3,5-Tris(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
CID 145740077
1,3-Dimethyl-5-(tripropoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 155587455

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione (CID 67430744) is 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione is CCO[Si](C)(Cn1c(=O)n(C[Si](C)(OCC)OCC)c(=O)n(C[Si](C)(OCC)OCC)c1=O)OCC.
What is the InChIKey of 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is CGMFIRZMTMQUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O9Si3/c1-10-28-34(7,29-11-2)16-22-19(25)23(17-35(8,30-12-3)31-13-4)21(27)24(20(22)26)18-36(9,32-14-5)33-15-6/h10-18H2,1-9H3.
What are the key properties of 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 567.86 g/mol, XLogP of 1.22, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[[diethoxy(methyl)silyl]methyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 67430744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).