bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium

C7H8Cl2Pd — CID 11346242

IUPACbicyclo[2.2.1]hepta-2,5-diene;dichloropalladium
SMILESC1=CC2C=CC1C2.Cl[Pd]Cl
InChIInChI=1S/C7H8.2ClH.Pd/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2
InChIKeyBNCRZJHZZCMDNP-UHFFFAOYSA-L
MW269.47 g/mol
LogP3.12
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium

bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium (PubChem CID 11346242) has the molecular formula C7H8Cl2Pd and a molecular weight of 269.47 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;dichloropalladium
PubChem CID11346242
Molecular FormulaC7H8Cl2Pd
Molecular Weight269.47 g/mol
Exact Mass267.90
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;dichloropalladium
SMILESC1=CC2C=CC1C2.Cl[Pd]Cl
InChIInChI=1S/C7H8.2ClH.Pd/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2
InChIKeyBNCRZJHZZCMDNP-UHFFFAOYSA-L
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium (CID 11346242) is bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium is C1=CC2C=CC1C2.Cl[Pd]Cl.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium?
The InChIKey is BNCRZJHZZCMDNP-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8.2ClH.Pd/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium?
bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium has a molecular weight of 269.47 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium is sourced from PubChem (CID 11346242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).