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

C9H17N3O6Si — CID 155587456

IUPAC1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](Cn1c(=O)n(C)c(=O)n(C)c1=O)(OC)OC
InChIInChI=1S/C9H17N3O6Si/c1-10-7(13)11(2)9(15)12(8(10)14)6-19(16-3,17-4)18-5/h6H2,1-5H3
InChIKeyZDTSBJFCAUCNPS-UHFFFAOYSA-N
MW291.34 g/mol
LogP-2.34
Rot. Bonds5

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

1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 155587456) has the molecular formula C9H17N3O6Si and a molecular weight of 291.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID155587456
Molecular FormulaC9H17N3O6Si
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione
SMILESCO[Si](Cn1c(=O)n(C)c(=O)n(C)c1=O)(OC)OC
InChIInChI=1S/C9H17N3O6Si/c1-10-7(13)11(2)9(15)12(8(10)14)6-19(16-3,17-4)18-5/h6H2,1-5H3
InChIKeyZDTSBJFCAUCNPS-UHFFFAOYSA-N
XLogP-2.34
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-2.34
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-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione (CID 155587456) is 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is CO[Si](Cn1c(=O)n(C)c(=O)n(C)c1=O)(OC)OC.
What is the InChIKey of 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZDTSBJFCAUCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6Si/c1-10-7(13)11(2)9(15)12(8(10)14)6-19(16-3,17-4)18-5/h6H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione?
1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 291.34 g/mol, XLogP of -2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(trimethoxysilylmethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 155587456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).