cyclopenta-1,3-diene;cyclopentane;tantalum dihydride

C10H10Ta-6 — CID 11984734

IUPACcyclopenta-1,3-diene;cyclopentane;tantalum dihydride
SMILES[Ta].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.Ta/c2*1-2-4-5-3-1;/h2*1-5H;/q-5;-1;
InChIKeyMGGKKRQJFYZLJJ-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.81
Rot. Bonds

About cyclopenta-1,3-diene;cyclopentane;tantalum dihydride

cyclopenta-1,3-diene;cyclopentane;tantalum dihydride (PubChem CID 11984734) has the molecular formula C10H10Ta-6 and a molecular weight of 311.14 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;tantalum dihydride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;tantalum dihydride
PubChem CID11984734
Molecular FormulaC10H10Ta-6
Molecular Weight311.14 g/mol
Exact Mass311.03
IUPAC Namecyclopenta-1,3-diene;cyclopentane;tantalum dihydride
SMILES[Ta].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.Ta/c2*1-2-4-5-3-1;/h2*1-5H;/q-5;-1;
InChIKeyMGGKKRQJFYZLJJ-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.81
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

pentakis(cyclopenta-1,3-diene);cyclopentane;hafnium;trihydrate
CID 11985834
cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110
carbanide;cyclopenta-1,3-diene;cyclopentane;titanium
CID 11986536
magnesium;cyclopenta-1,3-diene;cyclopentane;hydride;iron
CID 173382840
alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride
CID 173320155
cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron
CID 174474738
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);gold
CID 140990202
cyclopenta-1,3-diene;tetramethylazanium
CID 134880327
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentane;tantalum dihydride?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;tantalum dihydride (CID 11984734) is cyclopenta-1,3-diene;cyclopentane;tantalum dihydride.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;tantalum dihydride?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;tantalum dihydride is [Ta].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;tantalum dihydride?
The InChIKey is MGGKKRQJFYZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.Ta/c2*1-2-4-5-3-1;/h2*1-5H;/q-5;-1;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;tantalum dihydride?
cyclopenta-1,3-diene;cyclopentane;tantalum dihydride has a molecular weight of 311.14 g/mol, XLogP of 2.81, 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;cyclopentane;tantalum dihydride is sourced from PubChem (CID 11984734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).