zinc bis(1-methoxyethanolate)

C6H14O4Zn — CID 71317407

IUPACzinc bis(1-methoxyethanolate)
SMILESCOC(C)[O-].COC(C)[O-].[Zn+2]
InChIInChI=1S/2C3H7O2.Zn/c2*1-3(4)5-2;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyCGPUDRLVPBEWNF-UHFFFAOYSA-N
MW215.56 g/mol
LogP-1.32
Rot. Bonds2

About zinc bis(1-methoxyethanolate)

zinc bis(1-methoxyethanolate) (PubChem CID 71317407) has the molecular formula C6H14O4Zn and a molecular weight of 215.56 g/mol. Its IUPAC name is zinc bis(1-methoxyethanolate).

Molecular Properties

Compound Namezinc bis(1-methoxyethanolate)
PubChem CID71317407
Molecular FormulaC6H14O4Zn
Molecular Weight215.56 g/mol
Exact Mass214.02
IUPAC Namezinc bis(1-methoxyethanolate)
SMILESCOC(C)[O-].COC(C)[O-].[Zn+2]
InChIInChI=1S/2C3H7O2.Zn/c2*1-3(4)5-2;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyCGPUDRLVPBEWNF-UHFFFAOYSA-N
XLogP-1.32
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.56
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc bis(1-methoxyethanolate)?
The IUPAC name of zinc bis(1-methoxyethanolate) (CID 71317407) is zinc bis(1-methoxyethanolate).
What is the SMILES notation for zinc bis(1-methoxyethanolate)?
The canonical SMILES for zinc bis(1-methoxyethanolate) is COC(C)[O-].COC(C)[O-].[Zn+2].
What is the InChIKey of zinc bis(1-methoxyethanolate)?
The InChIKey is CGPUDRLVPBEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Zn/c2*1-3(4)5-2;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of zinc bis(1-methoxyethanolate)?
zinc bis(1-methoxyethanolate) has a molecular weight of 215.56 g/mol, XLogP of -1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1-methoxyethanolate) is sourced from PubChem (CID 71317407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).