bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)

C22H44Ir2O2Si2 — CID 5232913

IUPACbis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.C[Si](C)(C)O.C[Si](C)(C)O.[Ir].[Ir]
InChIInChI=1S/2C8H12.2C3H10OSi.2Ir/c2*1-2-4-6-8-7-5-3-1;2*1-5(2,3)4;;/h2*1-2,7-8H,3-6H2;2*4H,1-3H3;;
InChIKeyJAGVITLJZYFULF-UHFFFAOYSA-N
MW781.20 g/mol
LogP6.97
Rot. Bonds

About bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)

bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium) (PubChem CID 5232913) has the molecular formula C22H44Ir2O2Si2 and a molecular weight of 781.20 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium).

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)
PubChem CID5232913
Molecular FormulaC22H44Ir2O2Si2
Molecular Weight781.20 g/mol
Exact Mass782.21
IUPAC Namebis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)
SMILESC1=CCCC=CCC1.C1=CCCC=CCC1.C[Si](C)(C)O.C[Si](C)(C)O.[Ir].[Ir]
InChIInChI=1S/2C8H12.2C3H10OSi.2Ir/c2*1-2-4-6-8-7-5-3-1;2*1-5(2,3)4;;/h2*1-2,7-8H,3-6H2;2*4H,1-3H3;;
InChIKeyJAGVITLJZYFULF-UHFFFAOYSA-N
XLogP6.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.20
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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);bis(hydroxy(trimethyl)silane);bis(iridium)?
The IUPAC name of bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium) (CID 5232913) is bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium).
What is the SMILES notation for bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)?
The canonical SMILES for bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium) is C1=CCCC=CCC1.C1=CCCC=CCC1.C[Si](C)(C)O.C[Si](C)(C)O.[Ir].[Ir].
What is the InChIKey of bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)?
The InChIKey is JAGVITLJZYFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12.2C3H10OSi.2Ir/c2*1-2-4-6-8-7-5-3-1;2*1-5(2,3)4;;/h2*1-2,7-8H,3-6H2;2*4H,1-3H3;;.
What are the key properties of bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium)?
bis(cycloocta-1,5-diene);bis(hydroxy(trimethyl)silane);bis(iridium) has a molecular weight of 781.20 g/mol, XLogP of 6.97, 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);bis(hydroxy(trimethyl)silane);bis(iridium) is sourced from PubChem (CID 5232913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).