cyclopenta-1,3-diene;tetrachlorotantalum

C5H5Cl4Ta- — CID 15842857

IUPACcyclopenta-1,3-diene;tetrachlorotantalum
SMILESCl[Ta](Cl)(Cl)Cl.c1cc[cH-]c1
InChIInChI=1S/C5H5.4ClH.Ta/c1-2-4-5-3-1;;;;;/h1-5H;4*1H;/q-1;;;;;+4/p-4
InChIKeyLBHISSJHGOTZNQ-UHFFFAOYSA-J
MW387.86 g/mol
LogP4.16
Rot. Bonds

About cyclopenta-1,3-diene;tetrachlorotantalum

cyclopenta-1,3-diene;tetrachlorotantalum (PubChem CID 15842857) has the molecular formula C5H5Cl4Ta- and a molecular weight of 387.86 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tetrachlorotantalum.

Molecular Properties

Compound Namecyclopenta-1,3-diene;tetrachlorotantalum
PubChem CID15842857
Molecular FormulaC5H5Cl4Ta-
Molecular Weight387.86 g/mol
Exact Mass385.86
IUPAC Namecyclopenta-1,3-diene;tetrachlorotantalum
SMILESCl[Ta](Cl)(Cl)Cl.c1cc[cH-]c1
InChIInChI=1S/C5H5.4ClH.Ta/c1-2-4-5-3-1;;;;;/h1-5H;4*1H;/q-1;;;;;+4/p-4
InChIKeyLBHISSJHGOTZNQ-UHFFFAOYSA-J
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 54.16
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 cyclopenta-1,3-diene;tetrachlorotantalum?
The IUPAC name of cyclopenta-1,3-diene;tetrachlorotantalum (CID 15842857) is cyclopenta-1,3-diene;tetrachlorotantalum.
What is the SMILES notation for cyclopenta-1,3-diene;tetrachlorotantalum?
The canonical SMILES for cyclopenta-1,3-diene;tetrachlorotantalum is Cl[Ta](Cl)(Cl)Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;tetrachlorotantalum?
The InChIKey is LBHISSJHGOTZNQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H5.4ClH.Ta/c1-2-4-5-3-1;;;;;/h1-5H;4*1H;/q-1;;;;;+4/p-4.
What are the key properties of cyclopenta-1,3-diene;tetrachlorotantalum?
cyclopenta-1,3-diene;tetrachlorotantalum has a molecular weight of 387.86 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tetrachlorotantalum is sourced from PubChem (CID 15842857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).