iridium(3+);oxaldehydate;trihydrate

C6H9IrO12 — CID 159707808

IUPACiridium(3+);oxaldehydate;trihydrate
SMILESO.O.O.O=CC(=O)[O-].O=CC(=O)[O-].O=CC(=O)[O-].[Ir+3]
InChIInChI=1S/3C2H2O3.Ir.3H2O/c3*3-1-2(4)5;;;;/h3*1H,(H,4,5);;3*1H2/q;;;+3;;;/p-3
InChIKeyMYLDDQLNMLXCPD-UHFFFAOYSA-K
MW465.34 g/mol
LogP-8.67
Rot. Bonds3

About iridium(3+);oxaldehydate;trihydrate

iridium(3+);oxaldehydate;trihydrate (PubChem CID 159707808) has the molecular formula C6H9IrO12 and a molecular weight of 465.34 g/mol. Its IUPAC name is iridium(3+);oxaldehydate;trihydrate.

Molecular Properties

Compound Nameiridium(3+);oxaldehydate;trihydrate
PubChem CID159707808
Molecular FormulaC6H9IrO12
Molecular Weight465.34 g/mol
Exact Mass465.97
IUPAC Nameiridium(3+);oxaldehydate;trihydrate
SMILESO.O.O.O=CC(=O)[O-].O=CC(=O)[O-].O=CC(=O)[O-].[Ir+3]
InChIInChI=1S/3C2H2O3.Ir.3H2O/c3*3-1-2(4)5;;;;/h3*1H,(H,4,5);;3*1H2/q;;;+3;;;/p-3
InChIKeyMYLDDQLNMLXCPD-UHFFFAOYSA-K
XLogP-8.67
TPSA266.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 5-8.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

sodium;oxaldehydate;hydrate
CID 23720423
manganese(2+);oxaldehydate
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sodium;oxaldehydate;sulfanediol
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tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
calcium;but-2-enedioate;trihydrate
CID 74057853
disodium;(Z)-but-2-enedioate;dihydrate
CID 90473230
(E)-but-2-enedioate
CID 5460307
diazanium;acetate;formate;hydrate
CID 141398927
calcium;carbonate;hydrate
CID 23282065
dimagnesium;dicarbonate;hydrate
CID 157388040
bis(neodymium(3+));tricarbonate;decahydrate
CID 163951984
CID 170997496
CID 170997496

Frequently Asked Questions

What is the IUPAC name of iridium(3+);oxaldehydate;trihydrate?
The IUPAC name of iridium(3+);oxaldehydate;trihydrate (CID 159707808) is iridium(3+);oxaldehydate;trihydrate.
What is the SMILES notation for iridium(3+);oxaldehydate;trihydrate?
The canonical SMILES for iridium(3+);oxaldehydate;trihydrate is O.O.O.O=CC(=O)[O-].O=CC(=O)[O-].O=CC(=O)[O-].[Ir+3].
What is the InChIKey of iridium(3+);oxaldehydate;trihydrate?
The InChIKey is MYLDDQLNMLXCPD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H2O3.Ir.3H2O/c3*3-1-2(4)5;;;;/h3*1H,(H,4,5);;3*1H2/q;;;+3;;;/p-3.
What are the key properties of iridium(3+);oxaldehydate;trihydrate?
iridium(3+);oxaldehydate;trihydrate has a molecular weight of 465.34 g/mol, XLogP of -8.67, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);oxaldehydate;trihydrate is sourced from PubChem (CID 159707808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).