copper bis(propan-2-olate)

C6H14CuO2 — CID 14389592

IUPACcopper bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Cu+2]
InChIInChI=1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyVNGORJHUDAPOQZ-UHFFFAOYSA-N
MW181.72 g/mol
LogP-0.49
Rot. Bonds

About copper bis(propan-2-olate)

copper bis(propan-2-olate) (PubChem CID 14389592) has the molecular formula C6H14CuO2 and a molecular weight of 181.72 g/mol. Its IUPAC name is copper bis(propan-2-olate).

Molecular Properties

Compound Namecopper bis(propan-2-olate)
PubChem CID14389592
Molecular FormulaC6H14CuO2
Molecular Weight181.72 g/mol
Exact Mass181.03
IUPAC Namecopper bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Cu+2]
InChIInChI=1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyVNGORJHUDAPOQZ-UHFFFAOYSA-N
XLogP-0.49
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.72
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper bis(propan-2-olate)?
The IUPAC name of copper bis(propan-2-olate) (CID 14389592) is copper bis(propan-2-olate).
What is the SMILES notation for copper bis(propan-2-olate)?
The canonical SMILES for copper bis(propan-2-olate) is CC(C)[O-].CC(C)[O-].[Cu+2].
What is the InChIKey of copper bis(propan-2-olate)?
The InChIKey is VNGORJHUDAPOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of copper bis(propan-2-olate)?
copper bis(propan-2-olate) has a molecular weight of 181.72 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(propan-2-olate) is sourced from PubChem (CID 14389592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).