cerium(3+);octanoate

C8H15CeO2+2 — CID 21123895

IUPACcerium(3+);octanoate
SMILESCCCCCCCC(=O)[O-].[Ce+3]
InChIInChI=1S/C8H16O2.Ce/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1
InChIKeyBXFLOJVJKAGWAA-UHFFFAOYSA-M
MW283.32 g/mol
LogP1.10
Rot. Bonds6

About cerium(3+);octanoate

cerium(3+);octanoate (PubChem CID 21123895) has the molecular formula C8H15CeO2+2 and a molecular weight of 283.32 g/mol. Its IUPAC name is cerium(3+);octanoate.

Molecular Properties

Compound Namecerium(3+);octanoate
PubChem CID21123895
Molecular FormulaC8H15CeO2+2
Molecular Weight283.32 g/mol
Exact Mass283.01
IUPAC Namecerium(3+);octanoate
SMILESCCCCCCCC(=O)[O-].[Ce+3]
InChIInChI=1S/C8H16O2.Ce/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1
InChIKeyBXFLOJVJKAGWAA-UHFFFAOYSA-M
XLogP1.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cerium(3+);tris(heptadecanoate)
CID 109374153
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
cerium(3+);lanthanum(3+);hexakis(octadecanoate)
CID 159422181
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of cerium(3+);octanoate?
The IUPAC name of cerium(3+);octanoate (CID 21123895) is cerium(3+);octanoate.
What is the SMILES notation for cerium(3+);octanoate?
The canonical SMILES for cerium(3+);octanoate is CCCCCCCC(=O)[O-].[Ce+3].
What is the InChIKey of cerium(3+);octanoate?
The InChIKey is BXFLOJVJKAGWAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Ce/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+3/p-1.
What are the key properties of cerium(3+);octanoate?
cerium(3+);octanoate has a molecular weight of 283.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);octanoate is sourced from PubChem (CID 21123895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).