erbium;europium;hexakis(octadecanoic acid)

C108H216ErEuO12 — CID 176894602

IUPACerbium;europium;hexakis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Er].[Eu]
InChIInChI=1S/6C18H36O2.Er.Eu/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);;
InChIKeyOBHYHXBQDVTWEE-UHFFFAOYSA-N
MW2026.13 g/mol
LogP37.99
Rot. Bonds96

About erbium;europium;hexakis(octadecanoic acid)

erbium;europium;hexakis(octadecanoic acid) (PubChem CID 176894602) has the molecular formula C108H216ErEuO12 and a molecular weight of 2026.13 g/mol. Its IUPAC name is erbium;europium;hexakis(octadecanoic acid).

Molecular Properties

Compound Nameerbium;europium;hexakis(octadecanoic acid)
PubChem CID176894602
Molecular FormulaC108H216ErEuO12
Molecular Weight2026.13 g/mol
Exact Mass2024.48
IUPAC Nameerbium;europium;hexakis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Er].[Eu]
InChIInChI=1S/6C18H36O2.Er.Eu/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);;
InChIKeyOBHYHXBQDVTWEE-UHFFFAOYSA-N
XLogP37.99
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds96
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.13
LogP ≤ 537.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

erbium;tris(octadecanoic acid)
CID 141163787
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of erbium;europium;hexakis(octadecanoic acid)?
The IUPAC name of erbium;europium;hexakis(octadecanoic acid) (CID 176894602) is erbium;europium;hexakis(octadecanoic acid).
What is the SMILES notation for erbium;europium;hexakis(octadecanoic acid)?
The canonical SMILES for erbium;europium;hexakis(octadecanoic acid) is CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Er].[Eu].
What is the InChIKey of erbium;europium;hexakis(octadecanoic acid)?
The InChIKey is OBHYHXBQDVTWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H36O2.Er.Eu/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);;.
What are the key properties of erbium;europium;hexakis(octadecanoic acid)?
erbium;europium;hexakis(octadecanoic acid) has a molecular weight of 2026.13 g/mol, XLogP of 37.99, 96 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for erbium;europium;hexakis(octadecanoic acid) is sourced from PubChem (CID 176894602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).