Tris(tetramethylcyclopentadienyl)gadolinium(III)

C27H39Gd — CID 102601033

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.[Gd]
InChIInChI=1S/3C9H13.Gd/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;
InChIKeyHJKCHNDMWJQGKU-UHFFFAOYSA-N
MW520.86 g/mol
LogP7.75
Rot. Bonds

About Tris(tetramethylcyclopentadienyl)gadolinium(III)

Tris(tetramethylcyclopentadienyl)gadolinium(III) (PubChem CID 102601033) has the molecular formula C27H39Gd and a molecular weight of 520.86 g/mol.

Molecular Properties

Compound NameTris(tetramethylcyclopentadienyl)gadolinium(III)
PubChem CID102601033
Molecular FormulaC27H39Gd
Molecular Weight520.86 g/mol
Exact Mass521.23
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.[Gd]
InChIInChI=1S/3C9H13.Gd/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;
InChIKeyHJKCHNDMWJQGKU-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 ≤ 500520.86
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze Tris(tetramethylcyclopentadienyl)gadolinium(III) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Tris(tetramethylcyclopentadienyl)gadolinium(III)?
The IUPAC name of Tris(tetramethylcyclopentadienyl)gadolinium(III) (CID 102601033) is not available.
What is the SMILES notation for Tris(tetramethylcyclopentadienyl)gadolinium(III)?
The canonical SMILES for Tris(tetramethylcyclopentadienyl)gadolinium(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.[Gd].
What is the InChIKey of Tris(tetramethylcyclopentadienyl)gadolinium(III)?
The InChIKey is HJKCHNDMWJQGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13.Gd/c3*1-6-5-7(2)9(4)8(6)3;/h3*5H,1-4H3;.
What are the key properties of Tris(tetramethylcyclopentadienyl)gadolinium(III)?
Tris(tetramethylcyclopentadienyl)gadolinium(III) has a molecular weight of 520.86 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)gadolinium(III) is sourced from PubChem (CID 102601033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).