tris(cyclopenta-1,3-diene);lanthanum(3+)

C15H15La — CID 22481131

IUPACtris(cyclopenta-1,3-diene);lanthanum(3+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[La+3]
InChIInChI=1S/3C5H5.La/c3*1-2-4-5-3-1;/h3*1-3H,4H2;/q3*-1;+3
InChIKeyWMTALVRZNMWNTJ-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.92
Rot. Bonds

About tris(cyclopenta-1,3-diene);lanthanum(3+)

tris(cyclopenta-1,3-diene);lanthanum(3+) (PubChem CID 22481131) has the molecular formula C15H15La and a molecular weight of 334.19 g/mol. Its IUPAC name is tris(cyclopenta-1,3-diene);lanthanum(3+).

Molecular Properties

Compound Nametris(cyclopenta-1,3-diene);lanthanum(3+)
PubChem CID22481131
Molecular FormulaC15H15La
Molecular Weight334.19 g/mol
Exact Mass334.02
IUPAC Nametris(cyclopenta-1,3-diene);lanthanum(3+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[La+3]
InChIInChI=1S/3C5H5.La/c3*1-2-4-5-3-1;/h3*1-3H,4H2;/q3*-1;+3
InChIKeyWMTALVRZNMWNTJ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(cyclopenta-1,3-diene);lanthanum(3+)?
The IUPAC name of tris(cyclopenta-1,3-diene);lanthanum(3+) (CID 22481131) is tris(cyclopenta-1,3-diene);lanthanum(3+).
What is the SMILES notation for tris(cyclopenta-1,3-diene);lanthanum(3+)?
The canonical SMILES for tris(cyclopenta-1,3-diene);lanthanum(3+) is [C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[La+3].
What is the InChIKey of tris(cyclopenta-1,3-diene);lanthanum(3+)?
The InChIKey is WMTALVRZNMWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5.La/c3*1-2-4-5-3-1;/h3*1-3H,4H2;/q3*-1;+3.
What are the key properties of tris(cyclopenta-1,3-diene);lanthanum(3+)?
tris(cyclopenta-1,3-diene);lanthanum(3+) has a molecular weight of 334.19 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopenta-1,3-diene);lanthanum(3+) is sourced from PubChem (CID 22481131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).