copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)

C56H60CuF24K2O16 — CID 139130676

IUPACcopper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)
SMILESC1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[Cu+2].[K+].[K+].[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/2C12H24O6.4C8H4F6O.Cu.2K/c2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;4*9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4;;;/h2*1-12H2;4*1-3,15H;;;/q;;;;;;+2;2*+1/p-4
InChIKeyIWYDZGQNBPHPHB-UHFFFAOYSA-J
MW1586.77 g/mol
LogP5.40
Rot. Bonds

About copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)

copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane) (PubChem CID 139130676) has the molecular formula C56H60CuF24K2O16 and a molecular weight of 1586.77 g/mol. Its IUPAC name is copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane).

Molecular Properties

Compound Namecopper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)
PubChem CID139130676
Molecular FormulaC56H60CuF24K2O16
Molecular Weight1586.77 g/mol
Exact Mass1585.21
IUPAC Namecopper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)
SMILESC1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[Cu+2].[K+].[K+].[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/2C12H24O6.4C8H4F6O.Cu.2K/c2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;4*9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4;;;/h2*1-12H2;4*1-3,15H;;;/q;;;;;;+2;2*+1/p-4
InChIKeyIWYDZGQNBPHPHB-UHFFFAOYSA-J
XLogP5.40
TPSA203.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.77
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)?
The IUPAC name of copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane) (CID 139130676) is copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane).
What is the SMILES notation for copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)?
The canonical SMILES for copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane) is C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[Cu+2].[K+].[K+].[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)?
The InChIKey is IWYDZGQNBPHPHB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H24O6.4C8H4F6O.Cu.2K/c2*1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;4*9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4;;;/h2*1-12H2;4*1-3,15H;;;/q;;;;;;+2;2*+1/p-4.
What are the key properties of copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane)?
copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane) has a molecular weight of 1586.77 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dipotassium;tetrakis(3,5-bis(trifluoromethyl)phenolate);bis(1,4,7,10,13,16-hexaoxacyclooctadecane) is sourced from PubChem (CID 139130676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).