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

C16H24I2Ru2 — CID 140767847

IUPACbis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium
SMILESC1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.[Ru]I.[Ru]I
InChIInChI=1S/2C8H12.2HI.2Ru/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2/b2*2-1-,8-7-;;;;
InChIKeyGBCXSSUWEZKVNC-MIXQCLKLSA-L
MW672.32 g/mol
LogP7.11
Rot. Bonds

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

bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium (PubChem CID 140767847) has the molecular formula C16H24I2Ru2 and a molecular weight of 672.32 g/mol. Its IUPAC name is bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium.

Molecular Properties

Compound Namebis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium
PubChem CID140767847
Molecular FormulaC16H24I2Ru2
Molecular Weight672.32 g/mol
Exact Mass673.81
IUPAC Namebis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium
SMILESC1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.[Ru]I.[Ru]I
InChIInChI=1S/2C8H12.2HI.2Ru/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2/b2*2-1-,8-7-;;;;
InChIKeyGBCXSSUWEZKVNC-MIXQCLKLSA-L
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.32
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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cyclobutene;phosphane
CID 160703954
cyclobutene;dihydrobromide
CID 88606852
benzene;(5Z)-cycloocta-1,5-diene;ruthenium
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Frequently Asked Questions

What is the IUPAC name of bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium?
The IUPAC name of bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium (CID 140767847) is bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium.
What is the SMILES notation for bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium?
The canonical SMILES for bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium is C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.[Ru]I.[Ru]I.
What is the InChIKey of bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium?
The InChIKey is GBCXSSUWEZKVNC-MIXQCLKLSA-L. The full InChI is InChI=1S/2C8H12.2HI.2Ru/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2/b2*2-1-,8-7-;;;;.
What are the key properties of bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium?
bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium has a molecular weight of 672.32 g/mol, XLogP of 7.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1Z,5Z)-cycloocta-1,5-diene);iodoruthenium is sourced from PubChem (CID 140767847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).