copper;bis(2-methylprop-2-enoic acid)

C8H12CuO4 — CID 102601747

IUPACcopper;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.[Cu]
InChIInChI=1S/2C4H6O2.Cu/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);
InChIKeyXTTBGOTUDWALQL-UHFFFAOYSA-N
MW235.73 g/mol
LogP1.29
Rot. Bonds2

About copper;bis(2-methylprop-2-enoic acid)

copper;bis(2-methylprop-2-enoic acid) (PubChem CID 102601747) has the molecular formula C8H12CuO4 and a molecular weight of 235.73 g/mol. Its IUPAC name is copper;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namecopper;bis(2-methylprop-2-enoic acid)
PubChem CID102601747
Molecular FormulaC8H12CuO4
Molecular Weight235.73 g/mol
Exact Mass235.00
IUPAC Namecopper;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.[Cu]
InChIInChI=1S/2C4H6O2.Cu/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);
InChIKeyXTTBGOTUDWALQL-UHFFFAOYSA-N
XLogP1.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.73
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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(2-methylprop-2-enoic acid)?
The IUPAC name of copper;bis(2-methylprop-2-enoic acid) (CID 102601747) is copper;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for copper;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for copper;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.[Cu].
What is the InChIKey of copper;bis(2-methylprop-2-enoic acid)?
The InChIKey is XTTBGOTUDWALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.Cu/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);.
What are the key properties of copper;bis(2-methylprop-2-enoic acid)?
copper;bis(2-methylprop-2-enoic acid) has a molecular weight of 235.73 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 102601747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).