lanthanum(3+);tris(1-methoxyethanolate)

C9H21LaO6 — CID 71317437

IUPAClanthanum(3+);tris(1-methoxyethanolate)
SMILESCOC(C)[O-].COC(C)[O-].COC(C)[O-].[La+3]
InChIInChI=1S/3C3H7O2.La/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyUHDUMRBTZQQTHV-UHFFFAOYSA-N
MW364.17 g/mol
LogP-1.98
Rot. Bonds3

About lanthanum(3+);tris(1-methoxyethanolate)

lanthanum(3+);tris(1-methoxyethanolate) (PubChem CID 71317437) has the molecular formula C9H21LaO6 and a molecular weight of 364.17 g/mol. Its IUPAC name is lanthanum(3+);tris(1-methoxyethanolate).

Molecular Properties

Compound Namelanthanum(3+);tris(1-methoxyethanolate)
PubChem CID71317437
Molecular FormulaC9H21LaO6
Molecular Weight364.17 g/mol
Exact Mass364.04
IUPAC Namelanthanum(3+);tris(1-methoxyethanolate)
SMILESCOC(C)[O-].COC(C)[O-].COC(C)[O-].[La+3]
InChIInChI=1S/3C3H7O2.La/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyUHDUMRBTZQQTHV-UHFFFAOYSA-N
XLogP-1.98
TPSA96.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lanthanum(3+);tris(1-methoxyethanolate)?
The IUPAC name of lanthanum(3+);tris(1-methoxyethanolate) (CID 71317437) is lanthanum(3+);tris(1-methoxyethanolate).
What is the SMILES notation for lanthanum(3+);tris(1-methoxyethanolate)?
The canonical SMILES for lanthanum(3+);tris(1-methoxyethanolate) is COC(C)[O-].COC(C)[O-].COC(C)[O-].[La+3].
What is the InChIKey of lanthanum(3+);tris(1-methoxyethanolate)?
The InChIKey is UHDUMRBTZQQTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O2.La/c3*1-3(4)5-2;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of lanthanum(3+);tris(1-methoxyethanolate)?
lanthanum(3+);tris(1-methoxyethanolate) has a molecular weight of 364.17 g/mol, XLogP of -1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum(3+);tris(1-methoxyethanolate) is sourced from PubChem (CID 71317437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).