iridium;2-(phenylmethoxymethyl)oxirane;pyridine

C15H16IrNO2- — CID 87856687

IUPACiridium;2-(phenylmethoxymethyl)oxirane;pyridine
SMILES[Ir].[c-]1ccc(COCC2CO2)cc1.c1ccncc1
InChIInChI=1S/C10H11O2.C5H5N.Ir/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-2-4-6-5-3-1;/h2-5,10H,6-8H2;1-5H;/q-1;;
InChIKeyXRSFGJHKDHSTSX-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.48
Rot. Bonds4

About iridium;2-(phenylmethoxymethyl)oxirane;pyridine

iridium;2-(phenylmethoxymethyl)oxirane;pyridine (PubChem CID 87856687) has the molecular formula C15H16IrNO2- and a molecular weight of 434.52 g/mol. Its IUPAC name is iridium;2-(phenylmethoxymethyl)oxirane;pyridine.

Molecular Properties

Compound Nameiridium;2-(phenylmethoxymethyl)oxirane;pyridine
PubChem CID87856687
Molecular FormulaC15H16IrNO2-
Molecular Weight434.52 g/mol
Exact Mass435.08
IUPAC Nameiridium;2-(phenylmethoxymethyl)oxirane;pyridine
SMILES[Ir].[c-]1ccc(COCC2CO2)cc1.c1ccncc1
InChIInChI=1S/C10H11O2.C5H5N.Ir/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-2-4-6-5-3-1;/h2-5,10H,6-8H2;1-5H;/q-1;;
InChIKeyXRSFGJHKDHSTSX-UHFFFAOYSA-N
XLogP2.48
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iridium;2-(phenylmethoxymethyl)oxirane;pyridine?
The IUPAC name of iridium;2-(phenylmethoxymethyl)oxirane;pyridine (CID 87856687) is iridium;2-(phenylmethoxymethyl)oxirane;pyridine.
What is the SMILES notation for iridium;2-(phenylmethoxymethyl)oxirane;pyridine?
The canonical SMILES for iridium;2-(phenylmethoxymethyl)oxirane;pyridine is [Ir].[c-]1ccc(COCC2CO2)cc1.c1ccncc1.
What is the InChIKey of iridium;2-(phenylmethoxymethyl)oxirane;pyridine?
The InChIKey is XRSFGJHKDHSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.C5H5N.Ir/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-2-4-6-5-3-1;/h2-5,10H,6-8H2;1-5H;/q-1;;.
What are the key properties of iridium;2-(phenylmethoxymethyl)oxirane;pyridine?
iridium;2-(phenylmethoxymethyl)oxirane;pyridine has a molecular weight of 434.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(phenylmethoxymethyl)oxirane;pyridine is sourced from PubChem (CID 87856687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).