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

C12H23N3O6Si — CID 155587457

IUPAC1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](Cn1c(=O)n(C)c(=O)n(C)c1=O)(OCC)OCC
InChIInChI=1S/C12H23N3O6Si/c1-6-19-22(20-7-2,21-8-3)9-15-11(17)13(4)10(16)14(5)12(15)18/h6-9H2,1-5H3
InChIKeyFYCGHBZBOOJPMU-UHFFFAOYSA-N
MW333.42 g/mol
LogP-1.17
Rot. Bonds8

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

1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 155587457) has the molecular formula C12H23N3O6Si and a molecular weight of 333.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID155587457
Molecular FormulaC12H23N3O6Si
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCO[Si](Cn1c(=O)n(C)c(=O)n(C)c1=O)(OCC)OCC
InChIInChI=1S/C12H23N3O6Si/c1-6-19-22(20-7-2,21-8-3)9-15-11(17)13(4)10(16)14(5)12(15)18/h6-9H2,1-5H3
InChIKeyFYCGHBZBOOJPMU-UHFFFAOYSA-N
XLogP-1.17
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 5-1.17
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-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 155587457) is 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is CCO[Si](Cn1c(=O)n(C)c(=O)n(C)c1=O)(OCC)OCC.
What is the InChIKey of 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FYCGHBZBOOJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O6Si/c1-6-19-22(20-7-2,21-8-3)9-15-11(17)13(4)10(16)14(5)12(15)18/h6-9H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 333.42 g/mol, XLogP of -1.17, 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-(triethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 155587457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).