bis((Z)-but-2-enedioate);copper

C8H4CuO8-4 — CID 172736667

IUPACbis((Z)-but-2-enedioate);copper
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Cu]
InChIInChI=1S/2C4H4O4.Cu/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);/p-4/b2*2-1-;
InChIKeyLHTKSVDHPJCWIW-PAMPIZDHSA-J
MW291.66 g/mol
LogP-5.92
Rot. Bonds4

About bis((Z)-but-2-enedioate);copper

bis((Z)-but-2-enedioate);copper (PubChem CID 172736667) has the molecular formula C8H4CuO8-4 and a molecular weight of 291.66 g/mol. Its IUPAC name is bis((Z)-but-2-enedioate);copper.

Molecular Properties

Compound Namebis((Z)-but-2-enedioate);copper
PubChem CID172736667
Molecular FormulaC8H4CuO8-4
Molecular Weight291.66 g/mol
Exact Mass290.92
IUPAC Namebis((Z)-but-2-enedioate);copper
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Cu]
InChIInChI=1S/2C4H4O4.Cu/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);/p-4/b2*2-1-;
InChIKeyLHTKSVDHPJCWIW-PAMPIZDHSA-J
XLogP-5.92
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 5-5.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
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);bis(cobalt(3+))
CID 158794595
tris((Z)-but-2-enedioate);neodymium
CID 139595444
calcium;but-2-enedioate;trihydrate
CID 74057853
cesium;(Z)-but-2-enedioate;molybdenum(4+)
CID 175894957

Frequently Asked Questions

What is the IUPAC name of bis((Z)-but-2-enedioate);copper?
The IUPAC name of bis((Z)-but-2-enedioate);copper (CID 172736667) is bis((Z)-but-2-enedioate);copper.
What is the SMILES notation for bis((Z)-but-2-enedioate);copper?
The canonical SMILES for bis((Z)-but-2-enedioate);copper is O=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].[Cu].
What is the InChIKey of bis((Z)-but-2-enedioate);copper?
The InChIKey is LHTKSVDHPJCWIW-PAMPIZDHSA-J. The full InChI is InChI=1S/2C4H4O4.Cu/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);/p-4/b2*2-1-;.
What are the key properties of bis((Z)-but-2-enedioate);copper?
bis((Z)-but-2-enedioate);copper has a molecular weight of 291.66 g/mol, XLogP of -5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-but-2-enedioate);copper is sourced from PubChem (CID 172736667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).