bis(cycloocta-1,5-diene);rhodium(3+);trichloride

C16H24Cl3Rh — CID 159589811

IUPACbis(cycloocta-1,5-diene);rhodium(3+);trichloride
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/2C8H12.3ClH.Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;3*1H;/q;;;;;+3/p-3
InChIKeyMKCBGPOIXATNFH-UHFFFAOYSA-K
MW425.63 g/mol
LogP-3.64
Rot. Bonds

About bis(cycloocta-1,5-diene);rhodium(3+);trichloride

bis(cycloocta-1,5-diene);rhodium(3+);trichloride (PubChem CID 159589811) has the molecular formula C16H24Cl3Rh and a molecular weight of 425.63 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);rhodium(3+);trichloride.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);rhodium(3+);trichloride
PubChem CID159589811
Molecular FormulaC16H24Cl3Rh
Molecular Weight425.63 g/mol
Exact Mass424.00
IUPAC Namebis(cycloocta-1,5-diene);rhodium(3+);trichloride
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.[Cl-].[Cl-].[Cl-].[Rh+3]
InChIInChI=1S/2C8H12.3ClH.Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;3*1H;/q;;;;;+3/p-3
InChIKeyMKCBGPOIXATNFH-UHFFFAOYSA-K
XLogP-3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.63
LogP ≤ 5-3.64
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(3+);trichloride?
The IUPAC name of bis(cycloocta-1,5-diene);rhodium(3+);trichloride (CID 159589811) is bis(cycloocta-1,5-diene);rhodium(3+);trichloride.
What is the SMILES notation for bis(cycloocta-1,5-diene);rhodium(3+);trichloride?
The canonical SMILES for bis(cycloocta-1,5-diene);rhodium(3+);trichloride is C1=CCCC=CCC1.C1=CCCC=CCC1.[Cl-].[Cl-].[Cl-].[Rh+3].
What is the InChIKey of bis(cycloocta-1,5-diene);rhodium(3+);trichloride?
The InChIKey is MKCBGPOIXATNFH-UHFFFAOYSA-K. The full InChI is InChI=1S/2C8H12.3ClH.Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;3*1H;/q;;;;;+3/p-3.
What are the key properties of bis(cycloocta-1,5-diene);rhodium(3+);trichloride?
bis(cycloocta-1,5-diene);rhodium(3+);trichloride has a molecular weight of 425.63 g/mol, XLogP of -3.64, 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(3+);trichloride is sourced from PubChem (CID 159589811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).