lanthanum;2-methoxyacetaldehyde

C3H6LaO2 — CID 57468249

IUPAClanthanum;2-methoxyacetaldehyde
SMILESCOCC=O.[La]
InChIInChI=1S/C3H6O2.La/c1-5-3-2-4;/h2H,3H2,1H3;
InChIKeyNGQABRHLNPXFBY-UHFFFAOYSA-N
MW212.98 g/mol
LogP-0.17
Rot. Bonds2

About lanthanum;2-methoxyacetaldehyde

lanthanum;2-methoxyacetaldehyde (PubChem CID 57468249) has the molecular formula C3H6LaO2 and a molecular weight of 212.98 g/mol. Its IUPAC name is lanthanum;2-methoxyacetaldehyde.

Molecular Properties

Compound Namelanthanum;2-methoxyacetaldehyde
PubChem CID57468249
Molecular FormulaC3H6LaO2
Molecular Weight212.98 g/mol
Exact Mass212.94
IUPAC Namelanthanum;2-methoxyacetaldehyde
SMILESCOCC=O.[La]
InChIInChI=1S/C3H6O2.La/c1-5-3-2-4;/h2H,3H2,1H3;
InChIKeyNGQABRHLNPXFBY-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 ≤ 500212.98
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lanthanum;2-methoxyacetaldehyde?
The IUPAC name of lanthanum;2-methoxyacetaldehyde (CID 57468249) is lanthanum;2-methoxyacetaldehyde.
What is the SMILES notation for lanthanum;2-methoxyacetaldehyde?
The canonical SMILES for lanthanum;2-methoxyacetaldehyde is COCC=O.[La].
What is the InChIKey of lanthanum;2-methoxyacetaldehyde?
The InChIKey is NGQABRHLNPXFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.La/c1-5-3-2-4;/h2H,3H2,1H3;.
What are the key properties of lanthanum;2-methoxyacetaldehyde?
lanthanum;2-methoxyacetaldehyde has a molecular weight of 212.98 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 lanthanum;2-methoxyacetaldehyde is sourced from PubChem (CID 57468249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).