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

C16H31N3O6Si — CID 155587452

IUPAC1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCCO[Si](OCCC)(OCCC)C(C)n1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H31N3O6Si/c1-7-10-23-26(24-11-8-2,25-12-9-3)13(4)19-15(21)17(5)14(20)18(6)16(19)22/h13H,7-12H2,1-6H3
InChIKeyAGIQMZGAJJGCML-UHFFFAOYSA-N
MW389.53 g/mol
LogP0.56
Rot. Bonds11

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

1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 155587452) has the molecular formula C16H31N3O6Si and a molecular weight of 389.53 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID155587452
Molecular FormulaC16H31N3O6Si
Molecular Weight389.53 g/mol
Exact Mass389.20
IUPAC Name1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCCO[Si](OCCC)(OCCC)C(C)n1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H31N3O6Si/c1-7-10-23-26(24-11-8-2,25-12-9-3)13(4)19-15(21)17(5)14(20)18(6)16(19)22/h13H,7-12H2,1-6H3
InChIKeyAGIQMZGAJJGCML-UHFFFAOYSA-N
XLogP0.56
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 50.56
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-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione (CID 155587452) is 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione is CCCO[Si](OCCC)(OCCC)C(C)n1c(=O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is AGIQMZGAJJGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O6Si/c1-7-10-23-26(24-11-8-2,25-12-9-3)13(4)19-15(21)17(5)14(20)18(6)16(19)22/h13H,7-12H2,1-6H3.
What are the key properties of 1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-(1-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 389.53 g/mol, XLogP of 0.56, 11 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-tripropoxysilylethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 155587452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).