erbium;tris(octadecanoic acid)

C54H108ErO6 — CID 141163787

IUPACerbium;tris(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Er]
InChIInChI=1S/3C18H36O2.Er/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);
InChIKeyLDIMXFAEIQSQKZ-UHFFFAOYSA-N
MW1020.71 g/mol
LogP19.00
Rot. Bonds48

About erbium;tris(octadecanoic acid)

erbium;tris(octadecanoic acid) (PubChem CID 141163787) has the molecular formula C54H108ErO6 and a molecular weight of 1020.71 g/mol. Its IUPAC name is erbium;tris(octadecanoic acid).

Molecular Properties

Compound Nameerbium;tris(octadecanoic acid)
PubChem CID141163787
Molecular FormulaC54H108ErO6
Molecular Weight1020.71 g/mol
Exact Mass1018.74
IUPAC Nameerbium;tris(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Er]
InChIInChI=1S/3C18H36O2.Er/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);
InChIKeyLDIMXFAEIQSQKZ-UHFFFAOYSA-N
XLogP19.00
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds48
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.71
LogP ≤ 519.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

erbium;europium;hexakis(octadecanoic acid)
CID 176894602
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of erbium;tris(octadecanoic acid)?
The IUPAC name of erbium;tris(octadecanoic acid) (CID 141163787) is erbium;tris(octadecanoic acid).
What is the SMILES notation for erbium;tris(octadecanoic acid)?
The canonical SMILES for erbium;tris(octadecanoic acid) is CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Er].
What is the InChIKey of erbium;tris(octadecanoic acid)?
The InChIKey is LDIMXFAEIQSQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H36O2.Er/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);.
What are the key properties of erbium;tris(octadecanoic acid)?
erbium;tris(octadecanoic acid) has a molecular weight of 1020.71 g/mol, XLogP of 19.00, 48 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for erbium;tris(octadecanoic acid) is sourced from PubChem (CID 141163787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).