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

C18H27N3O3 — CID 54157008

IUPAC2,4,6-tris(pent-1-enoxy)-1,3,5-triazine
SMILESCCCC=COc1nc(OC=CCCC)nc(OC=CCCC)n1
InChIInChI=1S/C18H27N3O3/c1-4-7-10-13-22-16-19-17(23-14-11-8-5-2)21-18(20-16)24-15-12-9-6-3/h10-15H,4-9H2,1-3H3
InChIKeyOLUAJDWUBUVDFT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.95
Rot. Bonds12

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

2,4,6-tris(pent-1-enoxy)-1,3,5-triazine (PubChem CID 54157008) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(pent-1-enoxy)-1,3,5-triazine
PubChem CID54157008
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2,4,6-tris(pent-1-enoxy)-1,3,5-triazine
SMILESCCCC=COc1nc(OC=CCCC)nc(OC=CCCC)n1
InChIInChI=1S/C18H27N3O3/c1-4-7-10-13-22-16-19-17(23-14-11-8-5-2)21-18(20-16)24-15-12-9-6-3/h10-15H,4-9H2,1-3H3
InChIKeyOLUAJDWUBUVDFT-UHFFFAOYSA-N
XLogP4.95
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine (CID 54157008) is 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine is CCCC=COc1nc(OC=CCCC)nc(OC=CCCC)n1.
What is the InChIKey of 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine?
The InChIKey is OLUAJDWUBUVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-7-10-13-22-16-19-17(23-14-11-8-5-2)21-18(20-16)24-15-12-9-6-3/h10-15H,4-9H2,1-3H3.
What are the key properties of 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine?
2,4,6-tris(pent-1-enoxy)-1,3,5-triazine has a molecular weight of 333.43 g/mol, XLogP of 4.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(pent-1-enoxy)-1,3,5-triazine is sourced from PubChem (CID 54157008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).