Tris(tetramethylcyclopentadienyl)lanthanum(III)

C27H39La — CID 90470143

IUPAC—
SMILESC[C]1[CH][C](C)[C](C)[C]1C.C[C]1[CH][C](C)[C](C)[C]1C.C[C]1[CH][C](C)[C](C)[C]1C.[La]
InChIInChI=1S/3C9H13.La/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;
InChIKeyMEFBYUADNJXASA-UHFFFAOYSA-N
MW502.52 g/mol
LogP7.75
Rot. Bonds

About Tris(tetramethylcyclopentadienyl)lanthanum(III)

Tris(tetramethylcyclopentadienyl)lanthanum(III) (PubChem CID 90470143) has the molecular formula C27H39La and a molecular weight of 502.52 g/mol.

Molecular Properties

Compound NameTris(tetramethylcyclopentadienyl)lanthanum(III)
PubChem CID90470143
Molecular FormulaC27H39La
Molecular Weight502.52 g/mol
Exact Mass502.21
IUPAC Name—
SMILESC[C]1[CH][C](C)[C](C)[C]1C.C[C]1[CH][C](C)[C](C)[C]1C.C[C]1[CH][C](C)[C](C)[C]1C.[La]
InChIInChI=1S/3C9H13.La/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;
InChIKeyMEFBYUADNJXASA-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.52
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Tris(tetramethylcyclopentadienyl)lanthanum(III)?
The IUPAC name of Tris(tetramethylcyclopentadienyl)lanthanum(III) (CID 90470143) is not available.
What is the SMILES notation for Tris(tetramethylcyclopentadienyl)lanthanum(III)?
The canonical SMILES for Tris(tetramethylcyclopentadienyl)lanthanum(III) is C[C]1[CH][C](C)[C](C)[C]1C.C[C]1[CH][C](C)[C](C)[C]1C.C[C]1[CH][C](C)[C](C)[C]1C.[La].
What is the InChIKey of Tris(tetramethylcyclopentadienyl)lanthanum(III)?
The InChIKey is MEFBYUADNJXASA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13.La/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;.
What are the key properties of Tris(tetramethylcyclopentadienyl)lanthanum(III)?
Tris(tetramethylcyclopentadienyl)lanthanum(III) has a molecular weight of 502.52 g/mol, XLogP of 7.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Tris(tetramethylcyclopentadienyl)lanthanum(III) is sourced from PubChem (CID 90470143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).