dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)

C24H26Cu2N2O6 — CID 139067763

IUPACdicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)
SMILESCC(=O)/C=C([O-])/C=C(/C)[O-].CC(=O)/C=C([O-])/C=C(/C)[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H10O3.2C5H5N.2Cu/c2*1-5(8)3-7(10)4-6(2)9;2*1-2-4-6-5-3-1;;/h2*3-4,8,10H,1-2H3;2*1-5H;;/q;;;;2*+2/p-4/b2*5-3-,7-4-;;;;
InChIKeyDIAJSRPFXRNGTA-LHANTQMSSA-J
MW565.57 g/mol
LogP0.33
Rot. Bonds4

About dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)

dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine) (PubChem CID 139067763) has the molecular formula C24H26Cu2N2O6 and a molecular weight of 565.57 g/mol. Its IUPAC name is dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine).

Molecular Properties

Compound Namedicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)
PubChem CID139067763
Molecular FormulaC24H26Cu2N2O6
Molecular Weight565.57 g/mol
Exact Mass564.04
IUPAC Namedicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)
SMILESCC(=O)/C=C([O-])/C=C(/C)[O-].CC(=O)/C=C([O-])/C=C(/C)[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H10O3.2C5H5N.2Cu/c2*1-5(8)3-7(10)4-6(2)9;2*1-2-4-6-5-3-1;;/h2*3-4,8,10H,1-2H3;2*1-5H;;/q;;;;2*+2/p-4/b2*5-3-,7-4-;;;;
InChIKeyDIAJSRPFXRNGTA-LHANTQMSSA-J
XLogP0.33
TPSA152.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.57
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(mu-(acetato-kappaO:kappaO'))bis(pyridine)dicopper
CID 203800
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CID 139057807
Oxygen(2-);tris(pyridine);ruthenium(2+);bis(ruthenium(3+));hexaacetate
CID 139063708
bis(acetylacetonato)oxidopyridinevanadium(IV)
CID 139072971
Bis(acetylacetonato-kappa^2^O,O')(pyridine-kappaN)(thiocyanato-kappaN)manganese(III)
CID 139086188
[(2-py)2BMe2)Ni(acac]
CID 139110423
palladium(2+);bis((Z)-1-pyridin-2-ylprop-1-en-2-olate)
CID 139136788
bis(3-bromopyridine);nickel(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 139204226
bis(3-iodopyridine);nickel(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 139204231
bis(3-bromopyridine);cobalt(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 139204235
Aqua-bis(trans-2-butenoate)-bis(pyridine)copper(II)
CID 168302200
chromium(2+);bis((Z)-4-oxopent-2-en-2-olate);bis(pyridine)
CID 168306584

Frequently Asked Questions

What is the IUPAC name of dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)?
The IUPAC name of dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine) (CID 139067763) is dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine).
What is the SMILES notation for dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)?
The canonical SMILES for dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine) is CC(=O)/C=C([O-])/C=C(/C)[O-].CC(=O)/C=C([O-])/C=C(/C)[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)?
The InChIKey is DIAJSRPFXRNGTA-LHANTQMSSA-J. The full InChI is InChI=1S/2C7H10O3.2C5H5N.2Cu/c2*1-5(8)3-7(10)4-6(2)9;2*1-2-4-6-5-3-1;;/h2*3-4,8,10H,1-2H3;2*1-5H;;/q;;;;2*+2/p-4/b2*5-3-,7-4-;;;;.
What are the key properties of dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine)?
dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine) has a molecular weight of 565.57 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis((2Z,4Z)-6-oxohepta-2,4-diene-2,4-diolate);bis(pyridine) is sourced from PubChem (CID 139067763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).