2-methoxyacetaldehyde;zinc

C3H6O2Zn — CID 57446911

IUPAC2-methoxyacetaldehyde;zinc
SMILESCOCC=O.[Zn]
InChIInChI=1S/C3H6O2.Zn/c1-5-3-2-4;/h2H,3H2,1H3;
InChIKeyHAYAECRDKVGLDN-UHFFFAOYSA-N
MW139.47 g/mol
LogP-0.17
Rot. Bonds2

About 2-methoxyacetaldehyde;zinc

2-methoxyacetaldehyde;zinc (PubChem CID 57446911) has the molecular formula C3H6O2Zn and a molecular weight of 139.47 g/mol. Its IUPAC name is 2-methoxyacetaldehyde;zinc.

Molecular Properties

Compound Name2-methoxyacetaldehyde;zinc
PubChem CID57446911
Molecular FormulaC3H6O2Zn
Molecular Weight139.47 g/mol
Exact Mass137.97
IUPAC Name2-methoxyacetaldehyde;zinc
SMILESCOCC=O.[Zn]
InChIInChI=1S/C3H6O2.Zn/c1-5-3-2-4;/h2H,3H2,1H3;
InChIKeyHAYAECRDKVGLDN-UHFFFAOYSA-N
XLogP-0.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetaldehyde;zinc?
The IUPAC name of 2-methoxyacetaldehyde;zinc (CID 57446911) is 2-methoxyacetaldehyde;zinc.
What is the SMILES notation for 2-methoxyacetaldehyde;zinc?
The canonical SMILES for 2-methoxyacetaldehyde;zinc is COCC=O.[Zn].
What is the InChIKey of 2-methoxyacetaldehyde;zinc?
The InChIKey is HAYAECRDKVGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Zn/c1-5-3-2-4;/h2H,3H2,1H3;.
What are the key properties of 2-methoxyacetaldehyde;zinc?
2-methoxyacetaldehyde;zinc has a molecular weight of 139.47 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetaldehyde;zinc is sourced from PubChem (CID 57446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).