2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine

C26H36N6O6 — CID 140966787

About 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine

2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 140966787) has the molecular formula C26H36N6O6 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
• PubChem CID: 140966787
• Molecular Formula: C26H36N6O6
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.27
• IUPAC Name: 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
• SMILES: C=CCOc1nc(OCC=C)nc(OCCCCCCCCOc2nc(OCC=C)nc(OCC=C)n2)n1
• InChI: InChI=1S/C26H36N6O6/c1-5-15-33-21-27-22(34-16-6-2)30-25(29-21)37-19-13-11-9-10-12-14-20-38-26-31-23(35-17-7-3)28-24(32-26)36-18-8-4/h5-8H,1-4,9-20H2
• InChIKey: QPNGNQVWRZGQQJ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 132.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	4.11
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-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine?

The IUPAC name of 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 140966787) is 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

What is the SMILES notation for 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine?

The canonical SMILES for 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(OCCCCCCCCOc2nc(OCC=C)nc(OCC=C)n2)n1.

What is the InChIKey of 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine?

The InChIKey is QPNGNQVWRZGQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O6/c1-5-15-33-21-27-22(34-16-6-2)30-25(29-21)37-19-13-11-9-10-12-14-20-38-26-31-23(35-17-7-3)28-24(32-26)36-18-8-4/h5-8H,1-4,9-20H2.

What are the key properties of 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine?

2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 528.61 g/mol, XLogP of 4.11, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]octoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 140966787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).