Tris(i-propylcyclopentadienyl)praseodymium

C24H33Pr — CID 121233152

IUPAC—
SMILESCCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.[Pr]
InChIInChI=1S/3C8H11.Pr/c3*1-2-5-8-6-3-4-7-8;/h3*3-4,6-7H,2,5H2,1H3;
InChIKeyIPMGMNHRDWRZLL-UHFFFAOYSA-N
MW462.44 g/mol
LogP7.46
Rot. Bonds6

About Tris(i-propylcyclopentadienyl)praseodymium

Tris(i-propylcyclopentadienyl)praseodymium (PubChem CID 121233152) has the molecular formula C24H33Pr and a molecular weight of 462.44 g/mol.

Molecular Properties

Compound NameTris(i-propylcyclopentadienyl)praseodymium
PubChem CID121233152
Molecular FormulaC24H33Pr
Molecular Weight462.44 g/mol
Exact Mass462.17
IUPAC Name—
SMILESCCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.[Pr]
InChIInChI=1S/3C8H11.Pr/c3*1-2-5-8-6-3-4-7-8;/h3*3-4,6-7H,2,5H2,1H3;
InChIKeyIPMGMNHRDWRZLL-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Tris(i-propylcyclopentadienyl)praseodymium?
The IUPAC name of Tris(i-propylcyclopentadienyl)praseodymium (CID 121233152) is not available.
What is the SMILES notation for Tris(i-propylcyclopentadienyl)praseodymium?
The canonical SMILES for Tris(i-propylcyclopentadienyl)praseodymium is CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.[Pr].
What is the InChIKey of Tris(i-propylcyclopentadienyl)praseodymium?
The InChIKey is IPMGMNHRDWRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11.Pr/c3*1-2-5-8-6-3-4-7-8;/h3*3-4,6-7H,2,5H2,1H3;.
What are the key properties of Tris(i-propylcyclopentadienyl)praseodymium?
Tris(i-propylcyclopentadienyl)praseodymium has a molecular weight of 462.44 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Tris(i-propylcyclopentadienyl)praseodymium is sourced from PubChem (CID 121233152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).