bis(cycloocta-1,5-diene);rhodium

C16H24Rh — CID 72945366

IUPACbis(cycloocta-1,5-diene);rhodium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.[Rh]
InChIInChI=1S/2C8H12.Rh/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;
InChIKeyWVRNEYPEUSJKDG-UHFFFAOYSA-N
MW319.27 g/mol
LogP5.34
Rot. Bonds

About bis(cycloocta-1,5-diene);rhodium

bis(cycloocta-1,5-diene);rhodium (PubChem CID 72945366) has the molecular formula C16H24Rh and a molecular weight of 319.27 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);rhodium.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);rhodium
PubChem CID72945366
Molecular FormulaC16H24Rh
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC Namebis(cycloocta-1,5-diene);rhodium
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.[Rh]
InChIInChI=1S/2C8H12.Rh/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;
InChIKeyWVRNEYPEUSJKDG-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.27
LogP ≤ 55.34
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 bis(cycloocta-1,5-diene);rhodium?
The IUPAC name of bis(cycloocta-1,5-diene);rhodium (CID 72945366) is bis(cycloocta-1,5-diene);rhodium.
What is the SMILES notation for bis(cycloocta-1,5-diene);rhodium?
The canonical SMILES for bis(cycloocta-1,5-diene);rhodium is C1=CCCC=CCC1.C1=CCCC=CCC1.[Rh].
What is the InChIKey of bis(cycloocta-1,5-diene);rhodium?
The InChIKey is WVRNEYPEUSJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.Rh/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;.
What are the key properties of bis(cycloocta-1,5-diene);rhodium?
bis(cycloocta-1,5-diene);rhodium has a molecular weight of 319.27 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cycloocta-1,5-diene);rhodium is sourced from PubChem (CID 72945366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).