copper bis(6-oxohexanoate)

C12H18CuO6 — CID 88811227

IUPACcopper bis(6-oxohexanoate)
SMILESO=CCCCCC(=O)[O-].O=CCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C6H10O3.Cu/c2*7-5-3-1-2-4-6(8)9;/h2*5H,1-4H2,(H,8,9);/q;;+2/p-2
InChIKeyADTRHBUSNCDNMZ-UHFFFAOYSA-L
MW321.82 g/mol
LogP-1.01
Rot. Bonds10

About copper bis(6-oxohexanoate)

copper bis(6-oxohexanoate) (PubChem CID 88811227) has the molecular formula C12H18CuO6 and a molecular weight of 321.82 g/mol. Its IUPAC name is copper bis(6-oxohexanoate).

Molecular Properties

Compound Namecopper bis(6-oxohexanoate)
PubChem CID88811227
Molecular FormulaC12H18CuO6
Molecular Weight321.82 g/mol
Exact Mass321.04
IUPAC Namecopper bis(6-oxohexanoate)
SMILESO=CCCCCC(=O)[O-].O=CCCCCC(=O)[O-].[Cu+2]
InChIInChI=1S/2C6H10O3.Cu/c2*7-5-3-1-2-4-6(8)9;/h2*5H,1-4H2,(H,8,9);/q;;+2/p-2
InChIKeyADTRHBUSNCDNMZ-UHFFFAOYSA-L
XLogP-1.01
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-oxononanoate
CID 21270557
copper;zinc;bis(decanedioate)
CID 24880289
4,5-dioxoheptadecanedial
CID 172835159
cadmium(2+);hexanedioate
CID 19376883
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074
tridecanedioate
CID 6994474
12-oxododecanamide
CID 54019408
17-oxoheptadecanamide
CID 54112129
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
decanedioate dichloride
CID 21256251

Frequently Asked Questions

What is the IUPAC name of copper bis(6-oxohexanoate)?
The IUPAC name of copper bis(6-oxohexanoate) (CID 88811227) is copper bis(6-oxohexanoate).
What is the SMILES notation for copper bis(6-oxohexanoate)?
The canonical SMILES for copper bis(6-oxohexanoate) is O=CCCCCC(=O)[O-].O=CCCCCC(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(6-oxohexanoate)?
The InChIKey is ADTRHBUSNCDNMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H10O3.Cu/c2*7-5-3-1-2-4-6(8)9;/h2*5H,1-4H2,(H,8,9);/q;;+2/p-2.
What are the key properties of copper bis(6-oxohexanoate)?
copper bis(6-oxohexanoate) has a molecular weight of 321.82 g/mol, XLogP of -1.01, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(6-oxohexanoate) is sourced from PubChem (CID 88811227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).