copper bis(2-(2-oxocyclohexyl)acetate)

C16H22CuO6 — CID 90449787

IUPACcopper bis(2-(2-oxocyclohexyl)acetate)
SMILESO=C([O-])CC1CCCCC1=O.O=C([O-])CC1CCCCC1=O.[Cu+2]
InChIInChI=1S/2C8H12O3.Cu/c2*9-7-4-2-1-3-6(7)5-8(10)11;/h2*6H,1-5H2,(H,10,11);/q;;+2/p-2
InChIKeyCFHVHZNIEDEVHJ-UHFFFAOYSA-L
MW373.89 g/mol
LogP-0.23
Rot. Bonds4

About copper bis(2-(2-oxocyclohexyl)acetate)

copper bis(2-(2-oxocyclohexyl)acetate) (PubChem CID 90449787) has the molecular formula C16H22CuO6 and a molecular weight of 373.89 g/mol. Its IUPAC name is copper bis(2-(2-oxocyclohexyl)acetate).

Molecular Properties

Compound Namecopper bis(2-(2-oxocyclohexyl)acetate)
PubChem CID90449787
Molecular FormulaC16H22CuO6
Molecular Weight373.89 g/mol
Exact Mass373.07
IUPAC Namecopper bis(2-(2-oxocyclohexyl)acetate)
SMILESO=C([O-])CC1CCCCC1=O.O=C([O-])CC1CCCCC1=O.[Cu+2]
InChIInChI=1S/2C8H12O3.Cu/c2*9-7-4-2-1-3-6(7)5-8(10)11;/h2*6H,1-5H2,(H,10,11);/q;;+2/p-2
InChIKeyCFHVHZNIEDEVHJ-UHFFFAOYSA-L
XLogP-0.23
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze copper bis(2-(2-oxocyclohexyl)acetate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(2-oxocyclohexyl)acetate)?
The IUPAC name of copper bis(2-(2-oxocyclohexyl)acetate) (CID 90449787) is copper bis(2-(2-oxocyclohexyl)acetate).
What is the SMILES notation for copper bis(2-(2-oxocyclohexyl)acetate)?
The canonical SMILES for copper bis(2-(2-oxocyclohexyl)acetate) is O=C([O-])CC1CCCCC1=O.O=C([O-])CC1CCCCC1=O.[Cu+2].
What is the InChIKey of copper bis(2-(2-oxocyclohexyl)acetate)?
The InChIKey is CFHVHZNIEDEVHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H12O3.Cu/c2*9-7-4-2-1-3-6(7)5-8(10)11;/h2*6H,1-5H2,(H,10,11);/q;;+2/p-2.
What are the key properties of copper bis(2-(2-oxocyclohexyl)acetate)?
copper bis(2-(2-oxocyclohexyl)acetate) has a molecular weight of 373.89 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(2-oxocyclohexyl)acetate) is sourced from PubChem (CID 90449787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).