dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene

C10H12Cl2Pd — CID 13155452

IUPACdichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.Cl[Pd]Cl
InChIInChI=1S/C10H12.2ClH.Pd/c1-2-9-7-4-5-8(6-7)10(9)3-1;;;/h1-2,4-5,7-10H,3,6H2;2*1H;/q;;;+2/p-2
InChIKeyCYRHAHMKYXPNSF-UHFFFAOYSA-L
MW309.53 g/mol
LogP3.76
Rot. Bonds

About dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene

dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 13155452) has the molecular formula C10H12Cl2Pd and a molecular weight of 309.53 g/mol. Its IUPAC name is dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Namedichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID13155452
Molecular FormulaC10H12Cl2Pd
Molecular Weight309.53 g/mol
Exact Mass307.94
IUPAC Namedichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2C3C=CC(C3)C2C1.Cl[Pd]Cl
InChIInChI=1S/C10H12.2ClH.Pd/c1-2-9-7-4-5-8(6-7)10(9)3-1;;;/h1-2,4-5,7-10H,3,6H2;2*1H;/q;;;+2/p-2
InChIKeyCYRHAHMKYXPNSF-UHFFFAOYSA-L
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 53.76
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 dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene (CID 13155452) is dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene is C1=CC2C3C=CC(C3)C2C1.Cl[Pd]Cl.
What is the InChIKey of dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is CYRHAHMKYXPNSF-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H12.2ClH.Pd/c1-2-9-7-4-5-8(6-7)10(9)3-1;;;/h1-2,4-5,7-10H,3,6H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene?
dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 309.53 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 13155452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).