2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine

C21H33N3O3 — CID 140570082

IUPAC2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine
SMILESCCCC/C=C/Oc1nc(O/C=C/CCCC)nc(O/C=C/CCCC)n1
InChIInChI=1S/C21H33N3O3/c1-4-7-10-13-16-25-19-22-20(26-17-14-11-8-5-2)24-21(23-19)27-18-15-12-9-6-3/h13-18H,4-12H2,1-3H3/b16-13+,17-14+,18-15+
InChIKeyYEDQJTIUVIHHIG-NLCRRHETSA-N
MW375.51 g/mol
LogP6.12
Rot. Bonds15

About 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine

2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine (PubChem CID 140570082) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine
PubChem CID140570082
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine
SMILESCCCC/C=C/Oc1nc(O/C=C/CCCC)nc(O/C=C/CCCC)n1
InChIInChI=1S/C21H33N3O3/c1-4-7-10-13-16-25-19-22-20(26-17-14-11-8-5-2)24-21(23-19)27-18-15-12-9-6-3/h13-18H,4-12H2,1-3H3/b16-13+,17-14+,18-15+
InChIKeyYEDQJTIUVIHHIG-NLCRRHETSA-N
XLogP6.12
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine (CID 140570082) is 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine is CCCC/C=C/Oc1nc(O/C=C/CCCC)nc(O/C=C/CCCC)n1.
What is the InChIKey of 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine?
The InChIKey is YEDQJTIUVIHHIG-NLCRRHETSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-7-10-13-16-25-19-22-20(26-17-14-11-8-5-2)24-21(23-19)27-18-15-12-9-6-3/h13-18H,4-12H2,1-3H3/b16-13+,17-14+,18-15+.
What are the key properties of 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine?
2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine has a molecular weight of 375.51 g/mol, XLogP of 6.12, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine is sourced from PubChem (CID 140570082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).