chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane

C4H12ClIrO3P2 — CID 134947171

IUPACchloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane
SMILESCl[Ir].O=C1CCC(O)O1.P.P
InChIInChI=1S/C4H6O3.ClH.Ir.2H3P/c5-3-1-2-4(6)7-3;;;;/h3,5H,1-2H2;1H;;2*1H3/q;;+1;;/p-1
InChIKeyMCILZNZTOQNUOC-UHFFFAOYSA-M
MW397.76 g/mol
LogP0.44
Rot. Bonds

About chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane

chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane (PubChem CID 134947171) has the molecular formula C4H12ClIrO3P2 and a molecular weight of 397.76 g/mol. Its IUPAC name is chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane.

Molecular Properties

Compound Namechloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane
PubChem CID134947171
Molecular FormulaC4H12ClIrO3P2
Molecular Weight397.76 g/mol
Exact Mass397.96
IUPAC Namechloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane
SMILESCl[Ir].O=C1CCC(O)O1.P.P
InChIInChI=1S/C4H6O3.ClH.Ir.2H3P/c5-3-1-2-4(6)7-3;;;;/h3,5H,1-2H2;1H;;2*1H3/q;;+1;;/p-1
InChIKeyMCILZNZTOQNUOC-UHFFFAOYSA-M
XLogP0.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.76
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane?
The IUPAC name of chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane (CID 134947171) is chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane.
What is the SMILES notation for chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane?
The canonical SMILES for chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane is Cl[Ir].O=C1CCC(O)O1.P.P.
What is the InChIKey of chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane?
The InChIKey is MCILZNZTOQNUOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O3.ClH.Ir.2H3P/c5-3-1-2-4(6)7-3;;;;/h3,5H,1-2H2;1H;;2*1H3/q;;+1;;/p-1.
What are the key properties of chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane?
chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane has a molecular weight of 397.76 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane is sourced from PubChem (CID 134947171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).