praseodymium(3+);tris(undecanoate)

C33H63O6Pr — CID 101109865

IUPACpraseodymium(3+);tris(undecanoate)
SMILESCCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Pr+3]
InChIInChI=1S/3C11H22O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11(12)13;/h3*2-10H2,1H3,(H,12,13);/q;;;+3/p-3
InChIKeyAZMMRWYORFOHPH-UHFFFAOYSA-K
MW696.77 g/mol
LogP6.80
Rot. Bonds27

About praseodymium(3+);tris(undecanoate)

praseodymium(3+);tris(undecanoate) (PubChem CID 101109865) has the molecular formula C33H63O6Pr and a molecular weight of 696.77 g/mol. Its IUPAC name is praseodymium(3+);tris(undecanoate).

Molecular Properties

Compound Namepraseodymium(3+);tris(undecanoate)
PubChem CID101109865
Molecular FormulaC33H63O6Pr
Molecular Weight696.77 g/mol
Exact Mass696.37
IUPAC Namepraseodymium(3+);tris(undecanoate)
SMILESCCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Pr+3]
InChIInChI=1S/3C11H22O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11(12)13;/h3*2-10H2,1H3,(H,12,13);/q;;;+3/p-3
InChIKeyAZMMRWYORFOHPH-UHFFFAOYSA-K
XLogP6.80
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 56.80
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
tris(octadecanoate);praseodymium(3+)
CID 56841917
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 praseodymium(3+);tris(undecanoate)?
The IUPAC name of praseodymium(3+);tris(undecanoate) (CID 101109865) is praseodymium(3+);tris(undecanoate).
What is the SMILES notation for praseodymium(3+);tris(undecanoate)?
The canonical SMILES for praseodymium(3+);tris(undecanoate) is CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].CCCCCCCCCCC(=O)[O-].[Pr+3].
What is the InChIKey of praseodymium(3+);tris(undecanoate)?
The InChIKey is AZMMRWYORFOHPH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C11H22O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11(12)13;/h3*2-10H2,1H3,(H,12,13);/q;;;+3/p-3.
What are the key properties of praseodymium(3+);tris(undecanoate)?
praseodymium(3+);tris(undecanoate) has a molecular weight of 696.77 g/mol, XLogP of 6.80, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for praseodymium(3+);tris(undecanoate) is sourced from PubChem (CID 101109865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).