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

C21H33N3O3 — CID 67446141

IUPAC2,4,6-tris(hex-1-enoxy)-1,3,5-triazine
SMILESCCCCC=COc1nc(OC=CCCCC)nc(OC=CCCCC)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
InChIKeyYEDQJTIUVIHHIG-UHFFFAOYSA-N
MW375.51 g/mol
LogP6.12
Rot. Bonds15

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

2,4,6-tris(hex-1-enoxy)-1,3,5-triazine (PubChem CID 67446141) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(hex-1-enoxy)-1,3,5-triazine
PubChem CID67446141
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2,4,6-tris(hex-1-enoxy)-1,3,5-triazine
SMILESCCCCC=COc1nc(OC=CCCCC)nc(OC=CCCCC)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
InChIKeyYEDQJTIUVIHHIG-UHFFFAOYSA-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(hex-1-enoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine (CID 67446141) is 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine is CCCCC=COc1nc(OC=CCCCC)nc(OC=CCCCC)n1.
What is the InChIKey of 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine?
The InChIKey is YEDQJTIUVIHHIG-UHFFFAOYSA-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.
What are the key properties of 2,4,6-tris(hex-1-enoxy)-1,3,5-triazine?
2,4,6-tris(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(hex-1-enoxy)-1,3,5-triazine is sourced from PubChem (CID 67446141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).