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

C9H16IrO — CID 173048141

IUPAC(5Z)-cycloocta-1,5-diene;iridium;methanol
SMILESC1=CCC/C=C\CC1.CO.[Ir]
InChIInChI=1S/C8H12.CH4O.Ir/c1-2-4-6-8-7-5-3-1;1-2;/h1-2,7-8H,3-6H2;2H,1H3;/b2-1-,8-7?;;
InChIKeyUTYNXYSBOFLMNQ-RPMSXJIWSA-N
MW332.44 g/mol
LogP2.28
Rot. Bonds

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

(5Z)-cycloocta-1,5-diene;iridium;methanol (PubChem CID 173048141) has the molecular formula C9H16IrO and a molecular weight of 332.44 g/mol. Its IUPAC name is (5Z)-cycloocta-1,5-diene;iridium;methanol.

Molecular Properties

Compound Name(5Z)-cycloocta-1,5-diene;iridium;methanol
PubChem CID173048141
Molecular FormulaC9H16IrO
Molecular Weight332.44 g/mol
Exact Mass333.08
IUPAC Name(5Z)-cycloocta-1,5-diene;iridium;methanol
SMILESC1=CCC/C=C\CC1.CO.[Ir]
InChIInChI=1S/C8H12.CH4O.Ir/c1-2-4-6-8-7-5-3-1;1-2;/h1-2,7-8H,3-6H2;2H,1H3;/b2-1-,8-7?;;
InChIKeyUTYNXYSBOFLMNQ-RPMSXJIWSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(cycloocta-1,5-diene);iridium;methanol
CID 175417772
(5Z)-cycloocta-1,5-diene;bis(iridium)
CID 173000003
cycloocta-1,5-diene;bis(iridium)
CID 158477680
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
cyclododeca-1,5,9-triene;nickel
CID 72956495
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
CID 173118976
bis(cycloocta-1,5-diene);rhodium(3+);trichloride
CID 159589811
cycloocta-1,5-diene;ruthenium(3+);trichloride
CID 161202598
cyclobutene;phosphane
CID 160703954
cyclobutene;dihydrobromide
CID 88606852

Frequently Asked Questions

What is the IUPAC name of (5Z)-cycloocta-1,5-diene;iridium;methanol?
The IUPAC name of (5Z)-cycloocta-1,5-diene;iridium;methanol (CID 173048141) is (5Z)-cycloocta-1,5-diene;iridium;methanol.
What is the SMILES notation for (5Z)-cycloocta-1,5-diene;iridium;methanol?
The canonical SMILES for (5Z)-cycloocta-1,5-diene;iridium;methanol is C1=CCC/C=C\CC1.CO.[Ir].
What is the InChIKey of (5Z)-cycloocta-1,5-diene;iridium;methanol?
The InChIKey is UTYNXYSBOFLMNQ-RPMSXJIWSA-N. The full InChI is InChI=1S/C8H12.CH4O.Ir/c1-2-4-6-8-7-5-3-1;1-2;/h1-2,7-8H,3-6H2;2H,1H3;/b2-1-,8-7?;;.
What are the key properties of (5Z)-cycloocta-1,5-diene;iridium;methanol?
(5Z)-cycloocta-1,5-diene;iridium;methanol has a molecular weight of 332.44 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-cycloocta-1,5-diene;iridium;methanol is sourced from PubChem (CID 173048141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).