2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine

C26H36N6O6 — CID 20511993

IUPAC2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
SMILESC=C(C)COc1nc(OCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1
InChIInChI=1S/C26H36N6O6/c1-17(2)13-35-23-27-21(28-24(31-23)36-14-18(3)4)33-11-9-10-12-34-22-29-25(37-15-19(5)6)32-26(30-22)38-16-20(7)8/h1,3,5,7,9-16H2,2,4,6,8H3
InChIKeyISTWNHZOVWTKBG-UHFFFAOYSA-N
MW528.61 g/mol
LogP4.11
Rot. Bonds19

About 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine

2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine (PubChem CID 20511993) has the molecular formula C26H36N6O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
PubChem CID20511993
Molecular FormulaC26H36N6O6
Molecular Weight528.61 g/mol
Exact Mass528.27
IUPAC Name2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
SMILESC=C(C)COc1nc(OCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1
InChIInChI=1S/C26H36N6O6/c1-17(2)13-35-23-27-21(28-24(31-23)36-14-18(3)4)33-11-9-10-12-34-22-29-25(37-15-19(5)6)32-26(30-22)38-16-20(7)8/h1,3,5,7,9-16H2,2,4,6,8H3
InChIKeyISTWNHZOVWTKBG-UHFFFAOYSA-N
XLogP4.11
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine (CID 20511993) is 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine is C=C(C)COc1nc(OCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1.
What is the InChIKey of 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
The InChIKey is ISTWNHZOVWTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O6/c1-17(2)13-35-23-27-21(28-24(31-23)36-14-18(3)4)33-11-9-10-12-34-22-29-25(37-15-19(5)6)32-26(30-22)38-16-20(7)8/h1,3,5,7,9-16H2,2,4,6,8H3.
What are the key properties of 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?
2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine has a molecular weight of 528.61 g/mol, XLogP of 4.11, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]butoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 20511993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).