dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine

C24H32Cl2FeN2O3 — CID 22968361

IUPACdichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESCOC(/C=N/c1c(C)cc(C)cc1C)OC(/C=N/c1c(C)cc(C)cc1C)OC.Cl[Fe]Cl
InChIInChI=1S/C24H32N2O3.2ClH.Fe/c1-15-9-17(3)23(18(4)10-15)25-13-21(27-7)29-22(28-8)14-26-24-19(5)11-16(2)12-20(24)6;;;/h9-14,21-22H,1-8H3;2*1H;/q;;;+2/p-2/b25-13+,26-14+;;;
InChIKeyOFFGOMFWFLEZOY-CWPMVNKHSA-L
MW523.28 g/mol
LogP6.98
Rot. Bonds8

About dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine

dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 22968361) has the molecular formula C24H32Cl2FeN2O3 and a molecular weight of 523.28 g/mol. Its IUPAC name is dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Namedichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID22968361
Molecular FormulaC24H32Cl2FeN2O3
Molecular Weight523.28 g/mol
Exact Mass522.11
IUPAC Namedichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESCOC(/C=N/c1c(C)cc(C)cc1C)OC(/C=N/c1c(C)cc(C)cc1C)OC.Cl[Fe]Cl
InChIInChI=1S/C24H32N2O3.2ClH.Fe/c1-15-9-17(3)23(18(4)10-15)25-13-21(27-7)29-22(28-8)14-26-24-19(5)11-16(2)12-20(24)6;;;/h9-14,21-22H,1-8H3;2*1H;/q;;;+2/p-2/b25-13+,26-14+;;;
InChIKeyOFFGOMFWFLEZOY-CWPMVNKHSA-L
XLogP6.98
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.28
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine (CID 22968361) is dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine is COC(/C=N/c1c(C)cc(C)cc1C)OC(/C=N/c1c(C)cc(C)cc1C)OC.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is OFFGOMFWFLEZOY-CWPMVNKHSA-L. The full InChI is InChI=1S/C24H32N2O3.2ClH.Fe/c1-15-9-17(3)23(18(4)10-15)25-13-21(27-7)29-22(28-8)14-26-24-19(5)11-16(2)12-20(24)6;;;/h9-14,21-22H,1-8H3;2*1H;/q;;;+2/p-2/b25-13+,26-14+;;;.
What are the key properties of dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine?
dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 523.28 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 22968361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).