2,4,6-tri(nonoxy)-1,3,5-triazine

C30H57N3O3 — CID 139880842

IUPAC2,4,6-tri(nonoxy)-1,3,5-triazine
SMILESCCCCCCCCCOc1nc(OCCCCCCCCC)nc(OCCCCCCCCC)n1
InChIInChI=1S/C30H57N3O3/c1-4-7-10-13-16-19-22-25-34-28-31-29(35-26-23-20-17-14-11-8-5-2)33-30(32-28)36-27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3
InChIKeyYSUDDRGGYSRXAN-UHFFFAOYSA-N
MW507.80 g/mol
LogP9.26
Rot. Bonds27

About 2,4,6-tri(nonoxy)-1,3,5-triazine

2,4,6-tri(nonoxy)-1,3,5-triazine (PubChem CID 139880842) has the molecular formula C30H57N3O3 and a molecular weight of 507.80 g/mol. Its IUPAC name is 2,4,6-tri(nonoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(nonoxy)-1,3,5-triazine
PubChem CID139880842
Molecular FormulaC30H57N3O3
Molecular Weight507.80 g/mol
Exact Mass507.44
IUPAC Name2,4,6-tri(nonoxy)-1,3,5-triazine
SMILESCCCCCCCCCOc1nc(OCCCCCCCCC)nc(OCCCCCCCCC)n1
InChIInChI=1S/C30H57N3O3/c1-4-7-10-13-16-19-22-25-34-28-31-29(35-26-23-20-17-14-11-8-5-2)33-30(32-28)36-27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3
InChIKeyYSUDDRGGYSRXAN-UHFFFAOYSA-N
XLogP9.26
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.80
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(nonoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(nonoxy)-1,3,5-triazine (CID 139880842) is 2,4,6-tri(nonoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(nonoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(nonoxy)-1,3,5-triazine is CCCCCCCCCOc1nc(OCCCCCCCCC)nc(OCCCCCCCCC)n1.
What is the InChIKey of 2,4,6-tri(nonoxy)-1,3,5-triazine?
The InChIKey is YSUDDRGGYSRXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N3O3/c1-4-7-10-13-16-19-22-25-34-28-31-29(35-26-23-20-17-14-11-8-5-2)33-30(32-28)36-27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3.
What are the key properties of 2,4,6-tri(nonoxy)-1,3,5-triazine?
2,4,6-tri(nonoxy)-1,3,5-triazine has a molecular weight of 507.80 g/mol, XLogP of 9.26, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(nonoxy)-1,3,5-triazine is sourced from PubChem (CID 139880842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).