2-hydroxypropanoate;iridium(3+);acetate

C5H8IrO5+ — CID 157323915

IUPAC2-hydroxypropanoate;iridium(3+);acetate
SMILESCC(=O)[O-].CC(O)C(=O)[O-].[Ir+3]
InChIInChI=1S/C3H6O3.C2H4O2.Ir/c1-2(4)3(5)6;1-2(3)4;/h2,4H,1H3,(H,5,6);1H3,(H,3,4);/q;;+3/p-2
InChIKeyQGLRLWHTDLWWMK-UHFFFAOYSA-L
MW340.33 g/mol
LogP-3.13
Rot. Bonds1

About 2-hydroxypropanoate;iridium(3+);acetate

2-hydroxypropanoate;iridium(3+);acetate (PubChem CID 157323915) has the molecular formula C5H8IrO5+ and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-hydroxypropanoate;iridium(3+);acetate.

Molecular Properties

Compound Name2-hydroxypropanoate;iridium(3+);acetate
PubChem CID157323915
Molecular FormulaC5H8IrO5+
Molecular Weight340.33 g/mol
Exact Mass341.00
IUPAC Name2-hydroxypropanoate;iridium(3+);acetate
SMILESCC(=O)[O-].CC(O)C(=O)[O-].[Ir+3]
InChIInChI=1S/C3H6O3.C2H4O2.Ir/c1-2(4)3(5)6;1-2(3)4;/h2,4H,1H3,(H,5,6);1H3,(H,3,4);/q;;+3/p-2
InChIKeyQGLRLWHTDLWWMK-UHFFFAOYSA-L
XLogP-3.13
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 5-3.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 140813979
aluminum tris((2R)-2-hydroxypropanoate)
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CID 13145
iodanium 2-hydroxypropanoate
CID 158316585
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;iridium(3+);acetate?
The IUPAC name of 2-hydroxypropanoate;iridium(3+);acetate (CID 157323915) is 2-hydroxypropanoate;iridium(3+);acetate.
What is the SMILES notation for 2-hydroxypropanoate;iridium(3+);acetate?
The canonical SMILES for 2-hydroxypropanoate;iridium(3+);acetate is CC(=O)[O-].CC(O)C(=O)[O-].[Ir+3].
What is the InChIKey of 2-hydroxypropanoate;iridium(3+);acetate?
The InChIKey is QGLRLWHTDLWWMK-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O3.C2H4O2.Ir/c1-2(4)3(5)6;1-2(3)4;/h2,4H,1H3,(H,5,6);1H3,(H,3,4);/q;;+3/p-2.
What are the key properties of 2-hydroxypropanoate;iridium(3+);acetate?
2-hydroxypropanoate;iridium(3+);acetate has a molecular weight of 340.33 g/mol, XLogP of -3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;iridium(3+);acetate is sourced from PubChem (CID 157323915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).