2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine

C26H36N6O7 — CID 20512019

IUPAC2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
SMILESC/C=C/COc1nc(OC/C=C/C)nc(OCCOCCOc2nc(OC/C=C/C)nc(OC/C=C/C)n2)n1
InChIInChI=1S/C26H36N6O7/c1-5-9-13-34-21-27-22(35-14-10-6-2)30-25(29-21)38-19-17-33-18-20-39-26-31-23(36-15-11-7-3)28-24(32-26)37-16-12-8-4/h5-12H,13-20H2,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyHFJHMFHVMKFESV-HFBXSBKTSA-N
MW544.61 g/mol
LogP3.35
Rot. Bonds20

About 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine

2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine (PubChem CID 20512019) has the molecular formula C26H36N6O7 and a molecular weight of 544.61 g/mol. Its IUPAC name is 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
PubChem CID20512019
Molecular FormulaC26H36N6O7
Molecular Weight544.61 g/mol
Exact Mass544.26
IUPAC Name2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine
SMILESC/C=C/COc1nc(OC/C=C/C)nc(OCCOCCOc2nc(OC/C=C/C)nc(OC/C=C/C)n2)n1
InChIInChI=1S/C26H36N6O7/c1-5-9-13-34-21-27-22(35-14-10-6-2)30-25(29-21)38-19-17-33-18-20-39-26-31-23(36-15-11-7-3)28-24(32-26)37-16-12-8-4/h5-12H,13-20H2,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyHFJHMFHVMKFESV-HFBXSBKTSA-N
XLogP3.35
TPSA141.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
The IUPAC name of 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine (CID 20512019) is 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine.
What is the SMILES notation for 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
The canonical SMILES for 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine is C/C=C/COc1nc(OC/C=C/C)nc(OCCOCCOc2nc(OC/C=C/C)nc(OC/C=C/C)n2)n1.
What is the InChIKey of 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
The InChIKey is HFJHMFHVMKFESV-HFBXSBKTSA-N. The full InChI is InChI=1S/C26H36N6O7/c1-5-9-13-34-21-27-22(35-14-10-6-2)30-25(29-21)38-19-17-33-18-20-39-26-31-23(36-15-11-7-3)28-24(32-26)37-16-12-8-4/h5-12H,13-20H2,1-4H3/b9-5+,10-6+,11-7+,12-8+.
What are the key properties of 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine?
2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine has a molecular weight of 544.61 g/mol, XLogP of 3.35, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4,6-bis[(E)-but-2-enoxy]-1,3,5-triazin-2-yl]oxy]ethoxy]ethoxy]-4,6-bis[(E)-but-2-enoxy]-1,3,5-triazine is sourced from PubChem (CID 20512019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).