Tris(isopropylcyclopentadienyl)neodymium(III)

C24H33Nb — CID 102601427

IUPAC—
SMILESCCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.[Nb]
InChIInChI=1S/3C8H11.Nb/c3*1-2-5-8-6-3-4-7-8;/h3*3-4,6-7H,2,5H2,1H3;
InChIKeyWXPOIGCIHXUWDD-UHFFFAOYSA-N
MW414.43 g/mol
LogP7.46
Rot. Bonds6

About Tris(isopropylcyclopentadienyl)neodymium(III)

Tris(isopropylcyclopentadienyl)neodymium(III) (PubChem CID 102601427) has the molecular formula C24H33Nb and a molecular weight of 414.43 g/mol.

Molecular Properties

Compound NameTris(isopropylcyclopentadienyl)neodymium(III)
PubChem CID102601427
Molecular FormulaC24H33Nb
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name—
SMILESCCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.[Nb]
InChIInChI=1S/3C8H11.Nb/c3*1-2-5-8-6-3-4-7-8;/h3*3-4,6-7H,2,5H2,1H3;
InChIKeyWXPOIGCIHXUWDD-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 ≤ 500414.43
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(isopropylcyclopentadienyl)neodymium(III)?
The IUPAC name of Tris(isopropylcyclopentadienyl)neodymium(III) (CID 102601427) is not available.
What is the SMILES notation for Tris(isopropylcyclopentadienyl)neodymium(III)?
The canonical SMILES for Tris(isopropylcyclopentadienyl)neodymium(III) is CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.CCCC1=CC=C[CH]1.[Nb].
What is the InChIKey of Tris(isopropylcyclopentadienyl)neodymium(III)?
The InChIKey is WXPOIGCIHXUWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11.Nb/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(isopropylcyclopentadienyl)neodymium(III)?
Tris(isopropylcyclopentadienyl)neodymium(III) has a molecular weight of 414.43 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(isopropylcyclopentadienyl)neodymium(III) is sourced from PubChem (CID 102601427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).