bis((5Z)-cycloocta-1,5-diene);dichlororhodium

C16H24Cl2Rh — CID 173413305

IUPACbis((5Z)-cycloocta-1,5-diene);dichlororhodium
SMILESC1=CCC/C=C\CC1.C1=CCC/C=C\CC1.Cl[Rh]Cl
InChIInChI=1S/2C8H12.2ClH.Rh/c2*1-2-4-6-8-7-5-3-1;;;/h2*1-2,7-8H,3-6H2;2*1H;/q;;;;+2/p-2/b2*2-1-,8-7?;;;
InChIKeyCNZJXEMAGREJBO-SXGRVCRXSA-L
MW390.18 g/mol
LogP6.72
Rot. Bonds

About bis((5Z)-cycloocta-1,5-diene);dichlororhodium

bis((5Z)-cycloocta-1,5-diene);dichlororhodium (PubChem CID 173413305) has the molecular formula C16H24Cl2Rh and a molecular weight of 390.18 g/mol. Its IUPAC name is bis((5Z)-cycloocta-1,5-diene);dichlororhodium.

Molecular Properties

Compound Namebis((5Z)-cycloocta-1,5-diene);dichlororhodium
PubChem CID173413305
Molecular FormulaC16H24Cl2Rh
Molecular Weight390.18 g/mol
Exact Mass389.03
IUPAC Namebis((5Z)-cycloocta-1,5-diene);dichlororhodium
SMILESC1=CCC/C=C\CC1.C1=CCC/C=C\CC1.Cl[Rh]Cl
InChIInChI=1S/2C8H12.2ClH.Rh/c2*1-2-4-6-8-7-5-3-1;;;/h2*1-2,7-8H,3-6H2;2*1H;/q;;;;+2/p-2/b2*2-1-,8-7?;;;
InChIKeyCNZJXEMAGREJBO-SXGRVCRXSA-L
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.18
LogP ≤ 56.72
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((5Z)-cycloocta-1,5-diene);dichlororhodium?
The IUPAC name of bis((5Z)-cycloocta-1,5-diene);dichlororhodium (CID 173413305) is bis((5Z)-cycloocta-1,5-diene);dichlororhodium.
What is the SMILES notation for bis((5Z)-cycloocta-1,5-diene);dichlororhodium?
The canonical SMILES for bis((5Z)-cycloocta-1,5-diene);dichlororhodium is C1=CCC/C=C\CC1.C1=CCC/C=C\CC1.Cl[Rh]Cl.
What is the InChIKey of bis((5Z)-cycloocta-1,5-diene);dichlororhodium?
The InChIKey is CNZJXEMAGREJBO-SXGRVCRXSA-L. The full InChI is InChI=1S/2C8H12.2ClH.Rh/c2*1-2-4-6-8-7-5-3-1;;;/h2*1-2,7-8H,3-6H2;2*1H;/q;;;;+2/p-2/b2*2-1-,8-7?;;;.
What are the key properties of bis((5Z)-cycloocta-1,5-diene);dichlororhodium?
bis((5Z)-cycloocta-1,5-diene);dichlororhodium has a molecular weight of 390.18 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((5Z)-cycloocta-1,5-diene);dichlororhodium is sourced from PubChem (CID 173413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).