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

C30H63N3O3Si3 — CID 174051388

IUPAC1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC[Si](CC)(CC)CCCn1c(=O)n(CCC[Si](CC)(CC)CC)c(=O)n(CCC[Si](CC)(CC)CC)c1=O
InChIInChI=1S/C30H63N3O3Si3/c1-10-37(11-2,12-3)25-19-22-31-28(34)32(23-20-26-38(13-4,14-5)15-6)30(36)33(29(31)35)24-21-27-39(16-7,17-8)18-9/h10-27H2,1-9H3
InChIKeyNTKPSTMILKZYTP-UHFFFAOYSA-N
MW598.11 g/mol
LogP7.87
Rot. Bonds21

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

1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 174051388) has the molecular formula C30H63N3O3Si3 and a molecular weight of 598.11 g/mol. Its IUPAC name is 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID174051388
Molecular FormulaC30H63N3O3Si3
Molecular Weight598.11 g/mol
Exact Mass597.42
IUPAC Name1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCC[Si](CC)(CC)CCCn1c(=O)n(CCC[Si](CC)(CC)CC)c(=O)n(CCC[Si](CC)(CC)CC)c1=O
InChIInChI=1S/C30H63N3O3Si3/c1-10-37(11-2,12-3)25-19-22-31-28(34)32(23-20-26-38(13-4,14-5)15-6)30(36)33(29(31)35)24-21-27-39(16-7,17-8)18-9/h10-27H2,1-9H3
InChIKeyNTKPSTMILKZYTP-UHFFFAOYSA-N
XLogP7.87
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.11
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 174051388) is 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione is CC[Si](CC)(CC)CCCn1c(=O)n(CCC[Si](CC)(CC)CC)c(=O)n(CCC[Si](CC)(CC)CC)c1=O.
What is the InChIKey of 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is NTKPSTMILKZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63N3O3Si3/c1-10-37(11-2,12-3)25-19-22-31-28(34)32(23-20-26-38(13-4,14-5)15-6)30(36)33(29(31)35)24-21-27-39(16-7,17-8)18-9/h10-27H2,1-9H3.
What are the key properties of 1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(3-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 598.11 g/mol, XLogP of 7.87, 21 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-triethylsilylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174051388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).