2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine

C15H27N3O9 — CID 54561834

IUPAC2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
SMILESCC(C)(C)OOOc1nc(OOOC(C)(C)C)nc(OOOC(C)(C)C)n1
InChIInChI=1S/C15H27N3O9/c1-13(2,3)22-25-19-10-16-11(20-26-23-14(4,5)6)18-12(17-10)21-27-24-15(7,8)9/h1-9H3
InChIKeyZRBZZRBHBZNXDC-UHFFFAOYSA-N
MW393.39 g/mol
LogP2.99
Rot. Bonds9

About 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine

2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine (PubChem CID 54561834) has the molecular formula C15H27N3O9 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
PubChem CID54561834
Molecular FormulaC15H27N3O9
Molecular Weight393.39 g/mol
Exact Mass393.17
IUPAC Name2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
SMILESCC(C)(C)OOOc1nc(OOOC(C)(C)C)nc(OOOC(C)(C)C)n1
InChIInChI=1S/C15H27N3O9/c1-13(2,3)22-25-19-10-16-11(20-26-23-14(4,5)6)18-12(17-10)21-27-24-15(7,8)9/h1-9H3
InChIKeyZRBZZRBHBZNXDC-UHFFFAOYSA-N
XLogP2.99
TPSA121.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(tert-Butyldioxy)-4,6-dimethoxy-1,3,5-triazine
CID 92682
2,4,6-Tris(tert-butylperoxy)-1,3,5-triazine
CID 2734923
2,4-Bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
CID 12735844
1,3,5-Triazine, 2,4,6-tris(1,1-dimethylethoxy)-
CID 231873
2,4,6-Tris(butylperoxy)-1,3,5-triazine
CID 22712648
2,4-Bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
CID 54303777
2,4,6-Tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine
CID 87649452
2-Tert-butylperoxy-4,6-dichloro-1,3,5-triazine
CID 119092961
2-Ethoxy-4,6-bis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
CID 123485173
2,4-Dimethoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
CID 162471914
2,4-Dimethoxy-6-(2-methylbutan-2-ylperoxy)-1,3,5-triazine
CID 177709908
2-Tert-butylperoxy-4,6-diethoxy-1,3,5-triazine
CID 177720715

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine (CID 54561834) is 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine is CC(C)(C)OOOc1nc(OOOC(C)(C)C)nc(OOOC(C)(C)C)n1.
What is the InChIKey of 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine?
The InChIKey is ZRBZZRBHBZNXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O9/c1-13(2,3)22-25-19-10-16-11(20-26-23-14(4,5)6)18-12(17-10)21-27-24-15(7,8)9/h1-9H3.
What are the key properties of 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine?
2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine has a molecular weight of 393.39 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine is sourced from PubChem (CID 54561834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).