cerium(3+);lanthanum(3+);hexakis(octadecanoate)

C108H210CeLaO12 — CID 159422181

IUPACcerium(3+);lanthanum(3+);hexakis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ce+3].[La+3]
InChIInChI=1S/6C18H36O2.Ce.La/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h6*2-17H2,1H3,(H,19,20);;/q;;;;;;2*+3/p-6
InChIKeyLPXBKHFNUMRIHV-UHFFFAOYSA-H
MW1979.88 g/mol
LogP29.99
Rot. Bonds96

About cerium(3+);lanthanum(3+);hexakis(octadecanoate)

cerium(3+);lanthanum(3+);hexakis(octadecanoate) (PubChem CID 159422181) has the molecular formula C108H210CeLaO12 and a molecular weight of 1979.88 g/mol. Its IUPAC name is cerium(3+);lanthanum(3+);hexakis(octadecanoate).

Molecular Properties

Compound Namecerium(3+);lanthanum(3+);hexakis(octadecanoate)
PubChem CID159422181
Molecular FormulaC108H210CeLaO12
Molecular Weight1979.88 g/mol
Exact Mass1978.39
IUPAC Namecerium(3+);lanthanum(3+);hexakis(octadecanoate)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ce+3].[La+3]
InChIInChI=1S/6C18H36O2.Ce.La/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h6*2-17H2,1H3,(H,19,20);;/q;;;;;;2*+3/p-6
InChIKeyLPXBKHFNUMRIHV-UHFFFAOYSA-H
XLogP29.99
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds96
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.88
LogP ≤ 529.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

decanoate;lanthanum(3+)
CID 21139452
cerium(3+);tris(heptadecanoate)
CID 109374153
cerium(3+);octanoate
CID 21123895
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
calcium;hexadecanoate;octadecanoate
CID 22065418
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243

Frequently Asked Questions

What is the IUPAC name of cerium(3+);lanthanum(3+);hexakis(octadecanoate)?
The IUPAC name of cerium(3+);lanthanum(3+);hexakis(octadecanoate) (CID 159422181) is cerium(3+);lanthanum(3+);hexakis(octadecanoate).
What is the SMILES notation for cerium(3+);lanthanum(3+);hexakis(octadecanoate)?
The canonical SMILES for cerium(3+);lanthanum(3+);hexakis(octadecanoate) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ce+3].[La+3].
What is the InChIKey of cerium(3+);lanthanum(3+);hexakis(octadecanoate)?
The InChIKey is LPXBKHFNUMRIHV-UHFFFAOYSA-H. The full InChI is InChI=1S/6C18H36O2.Ce.La/c6*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h6*2-17H2,1H3,(H,19,20);;/q;;;;;;2*+3/p-6.
What are the key properties of cerium(3+);lanthanum(3+);hexakis(octadecanoate)?
cerium(3+);lanthanum(3+);hexakis(octadecanoate) has a molecular weight of 1979.88 g/mol, XLogP of 29.99, 96 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);lanthanum(3+);hexakis(octadecanoate) is sourced from PubChem (CID 159422181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).