bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)

C14H14Cl2Rh2 — CID 173246942

IUPACbicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)
SMILESC1=CC2C=CC1C2.ClC1=C(Cl)C2C=CC1C2.[Rh].[Rh]
InChIInChI=1S/C7H6Cl2.C7H8.2Rh/c8-6-4-1-2-5(3-4)7(6)9;1-2-7-4-3-6(1)5-7;;/h1-2,4-5H,3H2;1-4,6-7H,5H2;;
InChIKeyQRTMBDCPVHDFHA-UHFFFAOYSA-N
MW458.98 g/mol
LogP4.62
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)

bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium) (PubChem CID 173246942) has the molecular formula C14H14Cl2Rh2 and a molecular weight of 458.98 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium).

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)
PubChem CID173246942
Molecular FormulaC14H14Cl2Rh2
Molecular Weight458.98 g/mol
Exact Mass457.86
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)
SMILESC1=CC2C=CC1C2.ClC1=C(Cl)C2C=CC1C2.[Rh].[Rh]
InChIInChI=1S/C7H6Cl2.C7H8.2Rh/c8-6-4-1-2-5(3-4)7(6)9;1-2-7-4-3-6(1)5-7;;/h1-2,4-5H,3H2;1-4,6-7H,5H2;;
InChIKeyQRTMBDCPVHDFHA-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.98
LogP ≤ 54.62
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;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium) (CID 173246942) is bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium).
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium) is C1=CC2C=CC1C2.ClC1=C(Cl)C2C=CC1C2.[Rh].[Rh].
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)?
The InChIKey is QRTMBDCPVHDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.C7H8.2Rh/c8-6-4-1-2-5(3-4)7(6)9;1-2-7-4-3-6(1)5-7;;/h1-2,4-5H,3H2;1-4,6-7H,5H2;;.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium)?
bicyclo[2.2.1]hepta-2,5-diene;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium) has a molecular weight of 458.98 g/mol, XLogP of 4.62, 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;2,3-dichlorobicyclo[2.2.1]hepta-2,5-diene;bis(rhodium) is sourced from PubChem (CID 173246942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).