2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine

C12H21N3O6 — CID 54303777

IUPAC2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
SMILESCOOc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1
InChIInChI=1S/C12H21N3O6/c1-11(2,3)20-18-9-13-8(17-16-7)14-10(15-9)19-21-12(4,5)6/h1-7H3
InChIKeySGAZJSALCWDNQO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.03
Rot. Bonds6

About 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine

2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine (PubChem CID 54303777) has the molecular formula C12H21N3O6 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
PubChem CID54303777
Molecular FormulaC12H21N3O6
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine
SMILESCOOc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1
InChIInChI=1S/C12H21N3O6/c1-11(2,3)20-18-9-13-8(17-16-7)14-10(15-9)19-21-12(4,5)6/h1-7H3
InChIKeySGAZJSALCWDNQO-UHFFFAOYSA-N
XLogP2.03
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.03
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
2,4,6-Tris(ethylperoxy)-1,3,5-triazine
CID 22019897
2,4,6-Tris(butylperoxy)-1,3,5-triazine
CID 22712648
2,4,6-Tris[(2-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
CID 54561834
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-Bis[(2-methylpropan-2-yl)oxy]-6-propan-2-yloxy-1,3,5-triazine;ethane
CID 144945851
2,4-Dimethoxy-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
CID 162471914

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine (CID 54303777) is 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine is COOc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1.
What is the InChIKey of 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine?
The InChIKey is SGAZJSALCWDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O6/c1-11(2,3)20-18-9-13-8(17-16-7)14-10(15-9)19-21-12(4,5)6/h1-7H3.
What are the key properties of 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine?
2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine has a molecular weight of 303.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(tert-butylperoxy)-6-methylperoxy-1,3,5-triazine is sourced from PubChem (CID 54303777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).