copper bis(but-2-enoate)

C8H10CuO4 — CID 159139250

IUPACcopper bis(but-2-enoate)
SMILESCC=CC(=O)[O-].CC=CC(=O)[O-].[Cu+2]
InChIInChI=1S/2C4H6O2.Cu/c2*1-2-3-4(5)6;/h2*2-3H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyKHWUOWNSXKBYAL-UHFFFAOYSA-L
MW233.71 g/mol
LogP-1.38
Rot. Bonds2

About copper bis(but-2-enoate)

copper bis(but-2-enoate) (PubChem CID 159139250) has the molecular formula C8H10CuO4 and a molecular weight of 233.71 g/mol. Its IUPAC name is copper bis(but-2-enoate).

Molecular Properties

Compound Namecopper bis(but-2-enoate)
PubChem CID159139250
Molecular FormulaC8H10CuO4
Molecular Weight233.71 g/mol
Exact Mass232.99
IUPAC Namecopper bis(but-2-enoate)
SMILESCC=CC(=O)[O-].CC=CC(=O)[O-].[Cu+2]
InChIInChI=1S/2C4H6O2.Cu/c2*1-2-3-4(5)6;/h2*2-3H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyKHWUOWNSXKBYAL-UHFFFAOYSA-L
XLogP-1.38
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper bis(but-2-enoate)?
The IUPAC name of copper bis(but-2-enoate) (CID 159139250) is copper bis(but-2-enoate).
What is the SMILES notation for copper bis(but-2-enoate)?
The canonical SMILES for copper bis(but-2-enoate) is CC=CC(=O)[O-].CC=CC(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(but-2-enoate)?
The InChIKey is KHWUOWNSXKBYAL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O2.Cu/c2*1-2-3-4(5)6;/h2*2-3H,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of copper bis(but-2-enoate)?
copper bis(but-2-enoate) has a molecular weight of 233.71 g/mol, XLogP of -1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(but-2-enoate) is sourced from PubChem (CID 159139250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).