copper bis(4-formyloxy-4-oxobutanoate)

C10H10CuO10 — CID 158955876

IUPACcopper bis(4-formyloxy-4-oxobutanoate)
SMILESO=COC(=O)CCC(=O)[O-].O=COC(=O)CCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C5H6O5.Cu/c2*6-3-10-5(9)2-1-4(7)8;/h2*3H,1-2H2,(H,7,8);/q;;+2/p-2
InChIKeyJLZQMIOCUGMMTK-UHFFFAOYSA-L
MW353.73 g/mol
LogP-3.57
Rot. Bonds8

About copper bis(4-formyloxy-4-oxobutanoate)

copper bis(4-formyloxy-4-oxobutanoate) (PubChem CID 158955876) has the molecular formula C10H10CuO10 and a molecular weight of 353.73 g/mol. Its IUPAC name is copper bis(4-formyloxy-4-oxobutanoate).

Molecular Properties

Compound Namecopper bis(4-formyloxy-4-oxobutanoate)
PubChem CID158955876
Molecular FormulaC10H10CuO10
Molecular Weight353.73 g/mol
Exact Mass352.96
IUPAC Namecopper bis(4-formyloxy-4-oxobutanoate)
SMILESO=COC(=O)CCC(=O)[O-].O=COC(=O)CCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C5H6O5.Cu/c2*6-3-10-5(9)2-1-4(7)8;/h2*3H,1-2H2,(H,7,8);/q;;+2/p-2
InChIKeyJLZQMIOCUGMMTK-UHFFFAOYSA-L
XLogP-3.57
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 5-3.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diformyl pentanedioate
CID 57199083
4-O-chloro 1-O-formyl butanedioate
CID 57452790
diformyl octanedioate
CID 22123750
diformyl dodecanedioate
CID 57224405
1-O-ethyl 4-O-formyl butanedioate
CID 91193992
copper;zinc;bis(butanedioate)
CID 159835693
4-methoxy-4-oxobutanoate
CID 6930703
aluminum tris(4-oxo-4-pent-1-enoxybutanoate)
CID 158565593
bis(butanedioate);osmium(4+)
CID 159559487
azane;6-formyloxy-6-oxohexanoic acid
CID 174509608
formyl docosanoate
CID 87130713
azanium;lithium;butanedioate
CID 18352245

Frequently Asked Questions

What is the IUPAC name of copper bis(4-formyloxy-4-oxobutanoate)?
The IUPAC name of copper bis(4-formyloxy-4-oxobutanoate) (CID 158955876) is copper bis(4-formyloxy-4-oxobutanoate).
What is the SMILES notation for copper bis(4-formyloxy-4-oxobutanoate)?
The canonical SMILES for copper bis(4-formyloxy-4-oxobutanoate) is O=COC(=O)CCC(=O)[O-].O=COC(=O)CCC(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(4-formyloxy-4-oxobutanoate)?
The InChIKey is JLZQMIOCUGMMTK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H6O5.Cu/c2*6-3-10-5(9)2-1-4(7)8;/h2*3H,1-2H2,(H,7,8);/q;;+2/p-2.
What are the key properties of copper bis(4-formyloxy-4-oxobutanoate)?
copper bis(4-formyloxy-4-oxobutanoate) has a molecular weight of 353.73 g/mol, XLogP of -3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(4-formyloxy-4-oxobutanoate) is sourced from PubChem (CID 158955876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).