tris(octadecanoate);praseodymium(3+)

C54H105O6Pr — CID 56841917

IUPACtris(octadecanoate);praseodymium(3+)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Pr+3]
InChIInChI=1S/3C18H36O2.Pr/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);/q;;;+3/p-3
InChIKeyHKITTYDLDOKDRC-UHFFFAOYSA-K
MW991.34 g/mol
LogP14.99
Rot. Bonds48

About tris(octadecanoate);praseodymium(3+)

tris(octadecanoate);praseodymium(3+) (PubChem CID 56841917) has the molecular formula C54H105O6Pr and a molecular weight of 991.34 g/mol. Its IUPAC name is tris(octadecanoate);praseodymium(3+).

Molecular Properties

Compound Nametris(octadecanoate);praseodymium(3+)
PubChem CID56841917
Molecular FormulaC54H105O6Pr
Molecular Weight991.34 g/mol
Exact Mass990.70
IUPAC Nametris(octadecanoate);praseodymium(3+)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Pr+3]
InChIInChI=1S/3C18H36O2.Pr/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);/q;;;+3/p-3
InChIKeyHKITTYDLDOKDRC-UHFFFAOYSA-K
XLogP14.99
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds48
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.34
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(pentadecanoate);praseodymium(3+)
CID 101109870
praseodymium(3+);tris(undecanoate)
CID 101109865
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
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of tris(octadecanoate);praseodymium(3+)?
The IUPAC name of tris(octadecanoate);praseodymium(3+) (CID 56841917) is tris(octadecanoate);praseodymium(3+).
What is the SMILES notation for tris(octadecanoate);praseodymium(3+)?
The canonical SMILES for tris(octadecanoate);praseodymium(3+) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Pr+3].
What is the InChIKey of tris(octadecanoate);praseodymium(3+)?
The InChIKey is HKITTYDLDOKDRC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C18H36O2.Pr/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);/q;;;+3/p-3.
What are the key properties of tris(octadecanoate);praseodymium(3+)?
tris(octadecanoate);praseodymium(3+) has a molecular weight of 991.34 g/mol, XLogP of 14.99, 48 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(octadecanoate);praseodymium(3+) is sourced from PubChem (CID 56841917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).