2-ethylhexoxy(oxo)phosphanium;iron(3+)

C8H18FeO2P+4 — CID 158223582

IUPAC2-ethylhexoxy(oxo)phosphanium;iron(3+)
SMILESCCCCC(CC)CO[PH+]=O.[Fe+3]
InChIInChI=1S/C8H18O2P.Fe/c1-3-5-6-8(4-2)7-10-11-9;/h8,11H,3-7H2,1-2H3;/q+1;+3
InChIKeyAXQXOBVHVDIYIZ-UHFFFAOYSA-N
MW233.05 g/mol
LogP3.16
Rot. Bonds7

About 2-ethylhexoxy(oxo)phosphanium;iron(3+)

2-ethylhexoxy(oxo)phosphanium;iron(3+) (PubChem CID 158223582) has the molecular formula C8H18FeO2P+4 and a molecular weight of 233.05 g/mol. Its IUPAC name is 2-ethylhexoxy(oxo)phosphanium;iron(3+).

Molecular Properties

Compound Name2-ethylhexoxy(oxo)phosphanium;iron(3+)
PubChem CID158223582
Molecular FormulaC8H18FeO2P+4
Molecular Weight233.05 g/mol
Exact Mass233.04
IUPAC Name2-ethylhexoxy(oxo)phosphanium;iron(3+)
SMILESCCCCC(CC)CO[PH+]=O.[Fe+3]
InChIInChI=1S/C8H18O2P.Fe/c1-3-5-6-8(4-2)7-10-11-9;/h8,11H,3-7H2,1-2H3;/q+1;+3
InChIKeyAXQXOBVHVDIYIZ-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy(oxo)phosphanium;iron(3+)?
The IUPAC name of 2-ethylhexoxy(oxo)phosphanium;iron(3+) (CID 158223582) is 2-ethylhexoxy(oxo)phosphanium;iron(3+).
What is the SMILES notation for 2-ethylhexoxy(oxo)phosphanium;iron(3+)?
The canonical SMILES for 2-ethylhexoxy(oxo)phosphanium;iron(3+) is CCCCC(CC)CO[PH+]=O.[Fe+3].
What is the InChIKey of 2-ethylhexoxy(oxo)phosphanium;iron(3+)?
The InChIKey is AXQXOBVHVDIYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2P.Fe/c1-3-5-6-8(4-2)7-10-11-9;/h8,11H,3-7H2,1-2H3;/q+1;+3.
What are the key properties of 2-ethylhexoxy(oxo)phosphanium;iron(3+)?
2-ethylhexoxy(oxo)phosphanium;iron(3+) has a molecular weight of 233.05 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy(oxo)phosphanium;iron(3+) is sourced from PubChem (CID 158223582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).