dizinc bis(but-2-enedioate)

C8H4O8Zn2 — CID 173264948

IUPACdizinc bis(but-2-enedioate)
SMILESO=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C4H4O4.2Zn/c2*5-3(6)1-2-4(7)8;;/h2*1-2H,(H,5,6)(H,7,8);;/q;;2*+2/p-4
InChIKeyOWTJGSKULYFKRK-UHFFFAOYSA-J
MW358.89 g/mol
LogP-5.92
Rot. Bonds4

About dizinc bis(but-2-enedioate)

dizinc bis(but-2-enedioate) (PubChem CID 173264948) has the molecular formula C8H4O8Zn2 and a molecular weight of 358.89 g/mol. Its IUPAC name is dizinc bis(but-2-enedioate).

Molecular Properties

Compound Namedizinc bis(but-2-enedioate)
PubChem CID173264948
Molecular FormulaC8H4O8Zn2
Molecular Weight358.89 g/mol
Exact Mass355.85
IUPAC Namedizinc bis(but-2-enedioate)
SMILESO=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-].[Zn+2].[Zn+2]
InChIInChI=1S/2C4H4O4.2Zn/c2*5-3(6)1-2-4(7)8;;/h2*1-2H,(H,5,6)(H,7,8);;/q;;2*+2/p-4
InChIKeyOWTJGSKULYFKRK-UHFFFAOYSA-J
XLogP-5.92
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 5-5.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper;zinc;bis((Z)-but-2-enedioate)
CID 175691344
(E)-but-2-enedioate
CID 5460307
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
but-2-enedioate;manganese(2+)
CID 57354505
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
disodium;(Z)-but-2-enedioate
CID 6364608
bis((Z)-but-2-enedioate);copper
CID 172736667
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

Frequently Asked Questions

What is the IUPAC name of dizinc bis(but-2-enedioate)?
The IUPAC name of dizinc bis(but-2-enedioate) (CID 173264948) is dizinc bis(but-2-enedioate).
What is the SMILES notation for dizinc bis(but-2-enedioate)?
The canonical SMILES for dizinc bis(but-2-enedioate) is O=C([O-])C=CC(=O)[O-].O=C([O-])C=CC(=O)[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc bis(but-2-enedioate)?
The InChIKey is OWTJGSKULYFKRK-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H4O4.2Zn/c2*5-3(6)1-2-4(7)8;;/h2*1-2H,(H,5,6)(H,7,8);;/q;;2*+2/p-4.
What are the key properties of dizinc bis(but-2-enedioate)?
dizinc bis(but-2-enedioate) has a molecular weight of 358.89 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 dizinc bis(but-2-enedioate) is sourced from PubChem (CID 173264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).