chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)

C24H30Cl4Cu3N6O6 — CID 139263258

IUPACchlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)
SMILESC=CCOc1nc(OCC=C)nc(OCC=C)n1.C=CCOc1nc(OCC=C)nc(OCC=C)n1.Cl[Cu].Cl[Cu].Cl[Cu]Cl
InChIInChI=1S/2C12H15N3O3.4ClH.3Cu/c2*1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;;;;;;;/h2*4-6H,1-3,7-9H2;4*1H;;;/q;;;;;;2*+1;+2/p-4
InChIKeyQSHCNEYKSMHEFG-UHFFFAOYSA-J
MW830.99 g/mol
LogP5.88
Rot. Bonds18

About chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)

chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine) (PubChem CID 139263258) has the molecular formula C24H30Cl4Cu3N6O6 and a molecular weight of 830.99 g/mol. Its IUPAC name is chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine).

Molecular Properties

Compound Namechlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)
PubChem CID139263258
Molecular FormulaC24H30Cl4Cu3N6O6
Molecular Weight830.99 g/mol
Exact Mass826.89
IUPAC Namechlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)
SMILESC=CCOc1nc(OCC=C)nc(OCC=C)n1.C=CCOc1nc(OCC=C)nc(OCC=C)n1.Cl[Cu].Cl[Cu].Cl[Cu]Cl
InChIInChI=1S/2C12H15N3O3.4ClH.3Cu/c2*1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;;;;;;;/h2*4-6H,1-3,7-9H2;4*1H;;;/q;;;;;;2*+1;+2/p-4
InChIKeyQSHCNEYKSMHEFG-UHFFFAOYSA-J
XLogP5.88
TPSA132.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.99
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)?
The IUPAC name of chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine) (CID 139263258) is chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine).
What is the SMILES notation for chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)?
The canonical SMILES for chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine) is C=CCOc1nc(OCC=C)nc(OCC=C)n1.C=CCOc1nc(OCC=C)nc(OCC=C)n1.Cl[Cu].Cl[Cu].Cl[Cu]Cl.
What is the InChIKey of chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)?
The InChIKey is QSHCNEYKSMHEFG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H15N3O3.4ClH.3Cu/c2*1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3;;;;;;;/h2*4-6H,1-3,7-9H2;4*1H;;;/q;;;;;;2*+1;+2/p-4.
What are the key properties of chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine)?
chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine) has a molecular weight of 830.99 g/mol, XLogP of 5.88, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;dichlorocopper;bis(2,4,6-tris(prop-2-enoxy)-1,3,5-triazine) is sourced from PubChem (CID 139263258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).