2-ethoxyethanol;trichloroiridium;hydrate

C4H12Cl3IrO3 — CID 174911272

IUPAC2-ethoxyethanol;trichloroiridium;hydrate
SMILESCCOCCO.Cl[Ir](Cl)Cl.O
InChIInChI=1S/C4H10O2.3ClH.Ir.H2O/c1-2-6-4-3-5;;;;;/h5H,2-4H2,1H3;3*1H;;1H2/q;;;;+3;/p-3
InChIKeyUMQAAMOHJHSFIN-UHFFFAOYSA-K
MW406.71 g/mol
LogP1.26
Rot. Bonds3

About 2-ethoxyethanol;trichloroiridium;hydrate

2-ethoxyethanol;trichloroiridium;hydrate (PubChem CID 174911272) has the molecular formula C4H12Cl3IrO3 and a molecular weight of 406.71 g/mol. Its IUPAC name is 2-ethoxyethanol;trichloroiridium;hydrate.

Molecular Properties

Compound Name2-ethoxyethanol;trichloroiridium;hydrate
PubChem CID174911272
Molecular FormulaC4H12Cl3IrO3
Molecular Weight406.71 g/mol
Exact Mass405.95
IUPAC Name2-ethoxyethanol;trichloroiridium;hydrate
SMILESCCOCCO.Cl[Ir](Cl)Cl.O
InChIInChI=1S/C4H10O2.3ClH.Ir.H2O/c1-2-6-4-3-5;;;;;/h5H,2-4H2,1H3;3*1H;;1H2/q;;;;+3;/p-3
InChIKeyUMQAAMOHJHSFIN-UHFFFAOYSA-K
XLogP1.26
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxyethanol;trichloroiridium;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
chloroform;2-ethoxyethanol
CID 118659201
disodium;azanide;2-ethoxyethanol;hydride
CID 173429143
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
potassium;2-ethoxyethanol;hexafluorophosphate
CID 174932097
2-ethoxyethanol;sulfuric acid
CID 87749123
2-ethoxyethanol;propanoic acid
CID 71354268
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;trichloroiridium;hydrate?
The IUPAC name of 2-ethoxyethanol;trichloroiridium;hydrate (CID 174911272) is 2-ethoxyethanol;trichloroiridium;hydrate.
What is the SMILES notation for 2-ethoxyethanol;trichloroiridium;hydrate?
The canonical SMILES for 2-ethoxyethanol;trichloroiridium;hydrate is CCOCCO.Cl[Ir](Cl)Cl.O.
What is the InChIKey of 2-ethoxyethanol;trichloroiridium;hydrate?
The InChIKey is UMQAAMOHJHSFIN-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H10O2.3ClH.Ir.H2O/c1-2-6-4-3-5;;;;;/h5H,2-4H2,1H3;3*1H;;1H2/q;;;;+3;/p-3.
What are the key properties of 2-ethoxyethanol;trichloroiridium;hydrate?
2-ethoxyethanol;trichloroiridium;hydrate has a molecular weight of 406.71 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;trichloroiridium;hydrate is sourced from PubChem (CID 174911272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).