2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine

C32H48N6O6 — CID 20512054

About 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine

2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine (PubChem CID 20512054) has the molecular formula C32H48N6O6 and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
• PubChem CID: 20512054
• Molecular Formula: C32H48N6O6
• Molecular Weight: 612.77 g/mol
• Exact Mass: 612.36
• IUPAC Name: 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine
• SMILES: C=C(C)COc1nc(OCCCCCCCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1
• InChI: InChI=1S/C32H48N6O6/c1-23(2)19-41-29-33-27(34-30(37-29)42-20-24(3)4)39-17-15-13-11-9-10-12-14-16-18-40-28-35-31(43-21-25(5)6)38-32(36-28)44-22-26(7)8/h1,3,5,7,9-22H2,2,4,6,8H3
• InChIKey: FINNOUDZMIGJFT-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 132.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	612.77
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?

The IUPAC name of 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine (CID 20512054) is 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine.

What is the SMILES notation for 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?

The canonical SMILES for 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine is C=C(C)COc1nc(OCCCCCCCCCCOc2nc(OCC(=C)C)nc(OCC(=C)C)n2)nc(OCC(=C)C)n1.

What is the InChIKey of 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?

The InChIKey is FINNOUDZMIGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O6/c1-23(2)19-41-29-33-27(34-30(37-29)42-20-24(3)4)39-17-15-13-11-9-10-12-14-16-18-40-28-35-31(43-21-25(5)6)38-32(36-28)44-22-26(7)8/h1,3,5,7,9-22H2,2,4,6,8H3.

What are the key properties of 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine?

2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine has a molecular weight of 612.77 g/mol, XLogP of 6.45, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[[4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(2-methylprop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 20512054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).