cyclopenta-1,3-diene;dichlorotantalum

C5H5Cl2Ta- — CID 154448287

IUPACcyclopenta-1,3-diene;dichlorotantalum
SMILESCl[Ta]Cl.c1cc[cH-]c1
InChIInChI=1S/C5H5.2ClH.Ta/c1-2-4-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-2
InChIKeyBRSLUKJFOHANLB-UHFFFAOYSA-L
MW316.95 g/mol
LogP2.78
Rot. Bonds

About cyclopenta-1,3-diene;dichlorotantalum

cyclopenta-1,3-diene;dichlorotantalum (PubChem CID 154448287) has the molecular formula C5H5Cl2Ta- and a molecular weight of 316.95 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorotantalum.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorotantalum
PubChem CID154448287
Molecular FormulaC5H5Cl2Ta-
Molecular Weight316.95 g/mol
Exact Mass315.93
IUPAC Namecyclopenta-1,3-diene;dichlorotantalum
SMILESCl[Ta]Cl.c1cc[cH-]c1
InChIInChI=1S/C5H5.2ClH.Ta/c1-2-4-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-2
InChIKeyBRSLUKJFOHANLB-UHFFFAOYSA-L
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.95
LogP ≤ 52.78
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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Related Compounds

chlorochromium(2+);bis(cyclopenta-1,3-diene)
CID 154427565
chloromercury;cyclopenta-1,3-diene
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CID 140990202
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
chloro hypochlorite;bis(cyclopenta-1,3-diene);vanadium(2+)
CID 159277172
cyclopenta-1,3-diene;tetrachlorotantalum
CID 15842857
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
cyclopenta-1,3-diene;nickel;ruthenium(1+)
CID 161314247
carbanide;cyclopenta-1,3-diene;manganese
CID 140917109
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorotantalum?
The IUPAC name of cyclopenta-1,3-diene;dichlorotantalum (CID 154448287) is cyclopenta-1,3-diene;dichlorotantalum.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorotantalum?
The canonical SMILES for cyclopenta-1,3-diene;dichlorotantalum is Cl[Ta]Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorotantalum?
The InChIKey is BRSLUKJFOHANLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.2ClH.Ta/c1-2-4-5-3-1;;;/h1-5H;2*1H;/q-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorotantalum?
cyclopenta-1,3-diene;dichlorotantalum has a molecular weight of 316.95 g/mol, XLogP of 2.78, 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;dichlorotantalum is sourced from PubChem (CID 154448287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).