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

C27H57N3O9Si3 — CID 14273483

IUPAC1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](C)(CCCn1c(=O)n(CCC[Si](C)(OCC)OCC)c(=O)n(CCC[Si](C)(OCC)OCC)c1=O)OCC
InChIInChI=1S/C27H57N3O9Si3/c1-10-34-40(7,35-11-2)22-16-19-28-25(31)29(20-17-23-41(8,36-12-3)37-13-4)27(33)30(26(28)32)21-18-24-42(9,38-14-5)39-15-6/h10-24H2,1-9H3
InChIKeyAXCHDZODBICWMD-UHFFFAOYSA-N
MW652.02 g/mol
LogP3.78
Rot. Bonds24

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

1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 14273483) has the molecular formula C27H57N3O9Si3 and a molecular weight of 652.02 g/mol. Its IUPAC name is 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID14273483
Molecular FormulaC27H57N3O9Si3
Molecular Weight652.02 g/mol
Exact Mass651.34
IUPAC Name1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](C)(CCCn1c(=O)n(CCC[Si](C)(OCC)OCC)c(=O)n(CCC[Si](C)(OCC)OCC)c1=O)OCC
InChIInChI=1S/C27H57N3O9Si3/c1-10-34-40(7,35-11-2)22-16-19-28-25(31)29(20-17-23-41(8,36-12-3)37-13-4)27(33)30(26(28)32)21-18-24-42(9,38-14-5)39-15-6/h10-24H2,1-9H3
InChIKeyAXCHDZODBICWMD-UHFFFAOYSA-N
XLogP3.78
TPSA121.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.02
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione (CID 14273483) is 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is CCO[Si](C)(CCCn1c(=O)n(CCC[Si](C)(OCC)OCC)c(=O)n(CCC[Si](C)(OCC)OCC)c1=O)OCC.
What is the InChIKey of 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AXCHDZODBICWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N3O9Si3/c1-10-34-40(7,35-11-2)22-16-19-28-25(31)29(20-17-23-41(8,36-12-3)37-13-4)27(33)30(26(28)32)21-18-24-42(9,38-14-5)39-15-6/h10-24H2,1-9H3.
What are the key properties of 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 652.02 g/mol, XLogP of 3.78, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-[diethoxy(methyl)silyl]propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 14273483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).