tris((Z)-but-2-enedioate);bis(cobalt(3+))

C12H6Co2O12 — CID 158794595

IUPACtris((Z)-but-2-enedioate);bis(cobalt(3+))
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Co+3].[Co+3]
InChIInChI=1S/3C4H4O4.2Co/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b3*2-1-;;
InChIKeyRDMZZSWSEWBTGQ-AHUNZLEGSA-H
MW460.03 g/mol
LogP-8.88
Rot. Bonds6

About tris((Z)-but-2-enedioate);bis(cobalt(3+))

tris((Z)-but-2-enedioate);bis(cobalt(3+)) (PubChem CID 158794595) has the molecular formula C12H6Co2O12 and a molecular weight of 460.03 g/mol. Its IUPAC name is tris((Z)-but-2-enedioate);bis(cobalt(3+)).

Molecular Properties

Compound Nametris((Z)-but-2-enedioate);bis(cobalt(3+))
PubChem CID158794595
Molecular FormulaC12H6Co2O12
Molecular Weight460.03 g/mol
Exact Mass459.85
IUPAC Nametris((Z)-but-2-enedioate);bis(cobalt(3+))
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Co+3].[Co+3]
InChIInChI=1S/3C4H4O4.2Co/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b3*2-1-;;
InChIKeyRDMZZSWSEWBTGQ-AHUNZLEGSA-H
XLogP-8.88
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.03
LogP ≤ 5-8.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioate
CID 5460307
but-2-enedioate;manganese(2+)
CID 57354505
disodium;(Z)-but-2-enedioate
CID 6364608
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
beryllium (Z)-but-2-enedioate
CID 140577680
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);neodymium
CID 139595444
calcium;but-2-enedioate;trihydrate
CID 74057853
disodium;(Z)-but-2-enedioate;dihydrate
CID 90473230

Frequently Asked Questions

What is the IUPAC name of tris((Z)-but-2-enedioate);bis(cobalt(3+))?
The IUPAC name of tris((Z)-but-2-enedioate);bis(cobalt(3+)) (CID 158794595) is tris((Z)-but-2-enedioate);bis(cobalt(3+)).
What is the SMILES notation for tris((Z)-but-2-enedioate);bis(cobalt(3+))?
The canonical SMILES for tris((Z)-but-2-enedioate);bis(cobalt(3+)) is O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Co+3].[Co+3].
What is the InChIKey of tris((Z)-but-2-enedioate);bis(cobalt(3+))?
The InChIKey is RDMZZSWSEWBTGQ-AHUNZLEGSA-H. The full InChI is InChI=1S/3C4H4O4.2Co/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b3*2-1-;;.
What are the key properties of tris((Z)-but-2-enedioate);bis(cobalt(3+))?
tris((Z)-but-2-enedioate);bis(cobalt(3+)) has a molecular weight of 460.03 g/mol, XLogP of -8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris((Z)-but-2-enedioate);bis(cobalt(3+)) is sourced from PubChem (CID 158794595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).