tetrakis(hexadecanoate);iridium

C64H124IrO8-4 — CID 173340545

IUPACtetrakis(hexadecanoate);iridium
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ir]
InChIInChI=1S/4C16H32O2.Ir/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h4*2-15H2,1H3,(H,17,18);/p-4
InChIKeyMZAVAWLKHYCPMR-UHFFFAOYSA-J
MW1213.90 g/mol
LogP16.87
Rot. Bonds56

About tetrakis(hexadecanoate);iridium

tetrakis(hexadecanoate);iridium (PubChem CID 173340545) has the molecular formula C64H124IrO8-4 and a molecular weight of 1213.90 g/mol. Its IUPAC name is tetrakis(hexadecanoate);iridium.

Molecular Properties

Compound Nametetrakis(hexadecanoate);iridium
PubChem CID173340545
Molecular FormulaC64H124IrO8-4
Molecular Weight1213.90 g/mol
Exact Mass1213.89
IUPAC Nametetrakis(hexadecanoate);iridium
SMILESCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ir]
InChIInChI=1S/4C16H32O2.Ir/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h4*2-15H2,1H3,(H,17,18);/p-4
InChIKeyMZAVAWLKHYCPMR-UHFFFAOYSA-J
XLogP16.87
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds56
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.90
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
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CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
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dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
manganese(2+);bis(tricosanoate)
CID 100951425
tetrakis(octadecanoate);thorium(4+)
CID 160802738

Frequently Asked Questions

What is the IUPAC name of tetrakis(hexadecanoate);iridium?
The IUPAC name of tetrakis(hexadecanoate);iridium (CID 173340545) is tetrakis(hexadecanoate);iridium.
What is the SMILES notation for tetrakis(hexadecanoate);iridium?
The canonical SMILES for tetrakis(hexadecanoate);iridium is CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Ir].
What is the InChIKey of tetrakis(hexadecanoate);iridium?
The InChIKey is MZAVAWLKHYCPMR-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H32O2.Ir/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h4*2-15H2,1H3,(H,17,18);/p-4.
What are the key properties of tetrakis(hexadecanoate);iridium?
tetrakis(hexadecanoate);iridium has a molecular weight of 1213.90 g/mol, XLogP of 16.87, 56 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hexadecanoate);iridium is sourced from PubChem (CID 173340545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).