copper bis(2-methylpropan-2-olate)

C8H18CuO2 — CID 14647563

IUPACcopper bis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[Cu+2]
InChIInChI=1S/2C4H9O.Cu/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
InChIKeyDUNDEGLXXDOWLN-UHFFFAOYSA-N
MW209.78 g/mol
LogP0.29
Rot. Bonds

About copper bis(2-methylpropan-2-olate)

copper bis(2-methylpropan-2-olate) (PubChem CID 14647563) has the molecular formula C8H18CuO2 and a molecular weight of 209.78 g/mol. Its IUPAC name is copper bis(2-methylpropan-2-olate).

Molecular Properties

Compound Namecopper bis(2-methylpropan-2-olate)
PubChem CID14647563
Molecular FormulaC8H18CuO2
Molecular Weight209.78 g/mol
Exact Mass209.06
IUPAC Namecopper bis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[Cu+2]
InChIInChI=1S/2C4H9O.Cu/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
InChIKeyDUNDEGLXXDOWLN-UHFFFAOYSA-N
XLogP0.29
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.78
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze copper bis(2-methylpropan-2-olate) 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-methylpropan-2-olate)?
The IUPAC name of copper bis(2-methylpropan-2-olate) (CID 14647563) is copper bis(2-methylpropan-2-olate).
What is the SMILES notation for copper bis(2-methylpropan-2-olate)?
The canonical SMILES for copper bis(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].[Cu+2].
What is the InChIKey of copper bis(2-methylpropan-2-olate)?
The InChIKey is DUNDEGLXXDOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Cu/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2.
What are the key properties of copper bis(2-methylpropan-2-olate)?
copper bis(2-methylpropan-2-olate) has a molecular weight of 209.78 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-methylpropan-2-olate) is sourced from PubChem (CID 14647563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).