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

C28H40N6O6 — CID 20512009

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

2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 20512009) has the molecular formula C28H40N6O6 and a molecular weight of 556.66 g/mol. Its IUPAC name is 2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
• PubChem CID: 20512009
• Molecular Formula: C28H40N6O6
• Molecular Weight: 556.66 g/mol
• Exact Mass: 556.30
• IUPAC Name: 2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine
• SMILES: C=CCOc1nc(OCC=C)nc(OCCCCCCCCCCOc2nc(OCC=C)nc(OCC=C)n2)n1
• InChI: InChI=1S/C28H40N6O6/c1-5-17-35-23-29-24(36-18-6-2)32-27(31-23)39-21-15-13-11-9-10-12-14-16-22-40-28-33-25(37-19-7-3)30-26(34-28)38-20-8-4/h5-8H,1-4,9-22H2
• InChIKey: SOTCEBASQKBDTA-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 132.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.66
LogP ≤ 5	4.89
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(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine?

The IUPAC name of 2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 20512009) is 2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

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

The canonical SMILES for 2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(OCCCCCCCCCCOc2nc(OCC=C)nc(OCC=C)n2)n1.

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

The InChIKey is SOTCEBASQKBDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O6/c1-5-17-35-23-29-24(36-18-6-2)32-27(31-23)39-21-15-13-11-9-10-12-14-16-22-40-28-33-25(37-19-7-3)30-26(34-28)38-20-8-4/h5-8H,1-4,9-22H2.

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

2-[10-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 556.66 g/mol, XLogP of 4.89, 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(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]decoxy]-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 20512009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).