zinc bis(propan-2-olate)

C6H14O2Zn — CID 14009701

IUPACzinc bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Zn+2]
InChIInChI=1S/2C3H7O.Zn/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyHKIRVJCLEHCVAL-UHFFFAOYSA-N
MW183.57 g/mol
LogP-0.49
Rot. Bonds

About zinc bis(propan-2-olate)

zinc bis(propan-2-olate) (PubChem CID 14009701) has the molecular formula C6H14O2Zn and a molecular weight of 183.57 g/mol. Its IUPAC name is zinc bis(propan-2-olate).

Molecular Properties

Compound Namezinc bis(propan-2-olate)
PubChem CID14009701
Molecular FormulaC6H14O2Zn
Molecular Weight183.57 g/mol
Exact Mass182.03
IUPAC Namezinc bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Zn+2]
InChIInChI=1S/2C3H7O.Zn/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyHKIRVJCLEHCVAL-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 ≤ 500183.57
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(propan-2-olate)?
The IUPAC name of zinc bis(propan-2-olate) (CID 14009701) is zinc bis(propan-2-olate).
What is the SMILES notation for zinc bis(propan-2-olate)?
The canonical SMILES for zinc bis(propan-2-olate) is CC(C)[O-].CC(C)[O-].[Zn+2].
What is the InChIKey of zinc bis(propan-2-olate)?
The InChIKey is HKIRVJCLEHCVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Zn/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of zinc bis(propan-2-olate)?
zinc bis(propan-2-olate) has a molecular weight of 183.57 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 zinc bis(propan-2-olate) is sourced from PubChem (CID 14009701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).