Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate

• CAS: 35138-23-9
• Catalog Number: ACM35138239-1
• Category: Iridium series of catalysts
• Molecular Weight: 495.39
• Molecular Formula: C16H24BF4Ir
• Synonyms: Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate; 35138-23-9; C16H24BF4Ir; Bis(1,5-Cyclooctadiene)iridium( centn)tetrafluoroborate; iridium(1+) ion bis(1,5-cyclooctadiene) tetrafluoroborate; AC1NWBPF; J-019957
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir]
• InChI: InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7-
• InChI Key: ZFVHFEXIVQSRNV-QMDOQEJBSA-N
• Appearance: dark red
• Application: C-H Activation
• Color/Form: crystalline
• Complexity: 91.7
• Covalently-Bonded Unit Count: 4
• Defined Bond Stereocenter Count: 4
• Exact Mass: 496.154g/mol
• Formal Charge: -1
• H-Bond Acceptor: 5
• Heavy Atom Count: 22
• Monoisotopic Mass: 496.154g/mol
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The molecular formula is C16H24BF4Ir.

What is the molecular weight of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The molecular weight is 495.4 g/mol.

What are the synonyms for Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The synonyms are 35138-23-9, Bis(1,5-cyclooctadiene)iridium (I) tetrafluoroborate, (1Z,5Z)-cycloocta-1,5-diene;iridium;tetrafluoroborate, and iridium(1+).

When was Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate created and modified in PubChem?

It was created on July 19, 2005, and last modified on December 30, 2023.

What is the IUPAC name of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;iridium;tetrafluoroborate.

What is the InChI code of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The InChI code is InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7-;;.

What is the InChIKey of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The InChIKey is ZFVHFEXIVQSRNV-QMDOQEJBSA-N.

What is the canonical SMILES of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The canonical SMILES is [B-](F)(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir].

What are the computed properties of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The computed properties include the molecular weight (495.4 g/mol), hydrogen bond donor count (0), hydrogen bond acceptor count (5), rotatable bond count (0), exact mass (496.15364 g/mol), monoisotopic mass (496.15364 g/mol), topological polar surface area (0-2), heavy atom count (22), formal charge (-1), complexity (91.7), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (4), undefined bond stereocenter count (0), covalently-bonded unit count (4), and compound is canonicalized (Yes).

What is the CAS number of Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate?

The CAS number is 35138-23-9.