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

C18H39N3O6Si3 — CID 13139850

IUPAC1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](C)(C)OCCn1c(=O)n(CCO[Si](C)(C)C)c(=O)n(CCO[Si](C)(C)C)c1=O
InChIInChI=1S/C18H39N3O6Si3/c1-28(2,3)25-13-10-19-16(22)20(11-14-26-29(4,5)6)18(24)21(17(19)23)12-15-27-30(7,8)9/h10-15H2,1-9H3
InChIKeyMECWOETWYLRHNQ-UHFFFAOYSA-N
MW477.78 g/mol
LogP1.73
Rot. Bonds12

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

1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 13139850) has the molecular formula C18H39N3O6Si3 and a molecular weight of 477.78 g/mol. Its IUPAC name is 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID13139850
Molecular FormulaC18H39N3O6Si3
Molecular Weight477.78 g/mol
Exact Mass477.21
IUPAC Name1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC[Si](C)(C)OCCn1c(=O)n(CCO[Si](C)(C)C)c(=O)n(CCO[Si](C)(C)C)c1=O
InChIInChI=1S/C18H39N3O6Si3/c1-28(2,3)25-13-10-19-16(22)20(11-14-26-29(4,5)6)18(24)21(17(19)23)12-15-27-30(7,8)9/h10-15H2,1-9H3
InChIKeyMECWOETWYLRHNQ-UHFFFAOYSA-N
XLogP1.73
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.78
LogP ≤ 51.73
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 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 13139850) is 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione is C[Si](C)(C)OCCn1c(=O)n(CCO[Si](C)(C)C)c(=O)n(CCO[Si](C)(C)C)c1=O.
What is the InChIKey of 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is MECWOETWYLRHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O6Si3/c1-28(2,3)25-13-10-19-16(22)20(11-14-26-29(4,5)6)18(24)21(17(19)23)12-15-27-30(7,8)9/h10-15H2,1-9H3.
What are the key properties of 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 477.78 g/mol, XLogP of 1.73, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2-trimethylsilyloxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 13139850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).