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

C12H21N3O5 — CID 12735844

IUPAC2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1
InChIInChI=1S/C12H21N3O5/c1-11(2,3)19-17-9-13-8(16-7)14-10(15-9)18-20-12(4,5)6/h1-7H3
InChIKeyWOHBERLPINGLDG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.10
Rot. Bonds5

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

2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine (PubChem CID 12735844) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
PubChem CID12735844
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1
InChIInChI=1S/C12H21N3O5/c1-11(2,3)19-17-9-13-8(16-7)14-10(15-9)18-20-12(4,5)6/h1-7H3
InChIKeyWOHBERLPINGLDG-UHFFFAOYSA-N
XLogP2.10
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
4,6-Bis[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 172466536
1,3,5-Triazine, 2,4,6-tris(1,1-dimethylethoxy)-
CID 231873
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2,4,6-Tri(propan-2-yloxy)-1,3,5-triazine
CID 34531
2,4,6-Tris(2-methylpropoxy)-1,3,5-triazine
CID 35675
2,4,6-Tri(butan-2-yloxy)-1,3,5-triazine
CID 139880843
2,4,6-Tris(ethylperoxy)-1,3,5-triazine
CID 22019897
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-methylpropan-2-yl)oxyperoxy]-1,3,5-triazine
CID 54561834

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine (CID 12735844) is 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine is COc1nc(OOC(C)(C)C)nc(OOC(C)(C)C)n1.
What is the InChIKey of 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is WOHBERLPINGLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-11(2,3)19-17-9-13-8(16-7)14-10(15-9)18-20-12(4,5)6/h1-7H3.
What are the key properties of 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine?
2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 287.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 12735844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).