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

C13H25N3O6Si — CID 155587453

IUPAC1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](OCC)(OCC)C(C)n1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H25N3O6Si/c1-7-20-23(21-8-2,22-9-3)10(4)16-12(18)14(5)11(17)15(6)13(16)19/h10H,7-9H2,1-6H3
InChIKeySBNGFOJKBQUJSH-UHFFFAOYSA-N
MW347.44 g/mol
LogP-0.61
Rot. Bonds8

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

1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 155587453) has the molecular formula C13H25N3O6Si and a molecular weight of 347.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID155587453
Molecular FormulaC13H25N3O6Si
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC Name1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](OCC)(OCC)C(C)n1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H25N3O6Si/c1-7-20-23(21-8-2,22-9-3)10(4)16-12(18)14(5)11(17)15(6)13(16)19/h10H,7-9H2,1-6H3
InChIKeySBNGFOJKBQUJSH-UHFFFAOYSA-N
XLogP-0.61
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione (CID 155587453) is 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione is CCO[Si](OCC)(OCC)C(C)n1c(=O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SBNGFOJKBQUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O6Si/c1-7-20-23(21-8-2,22-9-3)10(4)16-12(18)14(5)11(17)15(6)13(16)19/h10H,7-9H2,1-6H3.
What are the key properties of 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 347.44 g/mol, XLogP of -0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1-triethoxysilylethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 155587453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).