2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine

C18H33N3O6 — CID 87649452

IUPAC2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine
SMILESCCC(C)(C)OOc1nc(OOC(C)(C)CC)nc(OOC(C)(C)CC)n1
InChIInChI=1S/C18H33N3O6/c1-10-16(4,5)25-22-13-19-14(23-26-17(6,7)11-2)21-15(20-13)24-27-18(8,9)12-3/h10-12H2,1-9H3
InChIKeyCDYZWTAHOHSLCP-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.37
Rot. Bonds12

About 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine

2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine (PubChem CID 87649452) has the molecular formula C18H33N3O6 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine
PubChem CID87649452
Molecular FormulaC18H33N3O6
Molecular Weight387.48 g/mol
Exact Mass387.24
IUPAC Name2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine
SMILESCCC(C)(C)OOc1nc(OOC(C)(C)CC)nc(OOC(C)(C)CC)n1
InChIInChI=1S/C18H33N3O6/c1-10-16(4,5)25-22-13-19-14(23-26-17(6,7)11-2)21-15(20-13)24-27-18(8,9)12-3/h10-12H2,1-9H3
InChIKeyCDYZWTAHOHSLCP-UHFFFAOYSA-N
XLogP4.37
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine
CID 22345050
2,4-Bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
CID 54303777
2,4,6-Tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
CID 54561834
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-methylbutan-2-ylperoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine (CID 87649452) is 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine is CCC(C)(C)OOc1nc(OOC(C)(C)CC)nc(OOC(C)(C)CC)n1.
What is the InChIKey of 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine?
The InChIKey is CDYZWTAHOHSLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O6/c1-10-16(4,5)25-22-13-19-14(23-26-17(6,7)11-2)21-15(20-13)24-27-18(8,9)12-3/h10-12H2,1-9H3.
What are the key properties of 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine?
2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine has a molecular weight of 387.48 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine is sourced from PubChem (CID 87649452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).