bis(cycloocta-1,5-diene);iridium;methanol

C18H32IrO2 — CID 175417772

IUPACbis(cycloocta-1,5-diene);iridium;methanol
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.CO.CO.[Ir]
InChIInChI=1S/2C8H12.2CH4O.Ir/c2*1-2-4-6-8-7-5-3-1;2*1-2;/h2*1-2,7-8H,3-6H2;2*2H,1H3;
InChIKeyXHSVOJIHXBQDOZ-UHFFFAOYSA-N
MW472.67 g/mol
LogP4.56
Rot. Bonds

About bis(cycloocta-1,5-diene);iridium;methanol

bis(cycloocta-1,5-diene);iridium;methanol (PubChem CID 175417772) has the molecular formula C18H32IrO2 and a molecular weight of 472.67 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);iridium;methanol.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);iridium;methanol
PubChem CID175417772
Molecular FormulaC18H32IrO2
Molecular Weight472.67 g/mol
Exact Mass473.20
IUPAC Namebis(cycloocta-1,5-diene);iridium;methanol
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.CO.CO.[Ir]
InChIInChI=1S/2C8H12.2CH4O.Ir/c2*1-2-4-6-8-7-5-3-1;2*1-2;/h2*1-2,7-8H,3-6H2;2*2H,1H3;
InChIKeyXHSVOJIHXBQDOZ-UHFFFAOYSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173000003
bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)
CID 5232913
bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);methane;methanolate
CID 127020978
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bis(cycloocta-1,5-diene);ruthenium
CID 158609135
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Frequently Asked Questions

What is the IUPAC name of bis(cycloocta-1,5-diene);iridium;methanol?
The IUPAC name of bis(cycloocta-1,5-diene);iridium;methanol (CID 175417772) is bis(cycloocta-1,5-diene);iridium;methanol.
What is the SMILES notation for bis(cycloocta-1,5-diene);iridium;methanol?
The canonical SMILES for bis(cycloocta-1,5-diene);iridium;methanol is C1=CCCC=CCC1.C1=CCCC=CCC1.CO.CO.[Ir].
What is the InChIKey of bis(cycloocta-1,5-diene);iridium;methanol?
The InChIKey is XHSVOJIHXBQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.2CH4O.Ir/c2*1-2-4-6-8-7-5-3-1;2*1-2;/h2*1-2,7-8H,3-6H2;2*2H,1H3;.
What are the key properties of bis(cycloocta-1,5-diene);iridium;methanol?
bis(cycloocta-1,5-diene);iridium;methanol has a molecular weight of 472.67 g/mol, XLogP of 4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cycloocta-1,5-diene);iridium;methanol is sourced from PubChem (CID 175417772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).