bis(dodecoxy-oxido-oxophosphanium);iron(2+)

C24H50FeO6P2+2 — CID 87602903

IUPACbis(dodecoxy-oxido-oxophosphanium);iron(2+)
SMILESCCCCCCCCCCCCO[P+](=O)[O-].CCCCCCCCCCCCO[P+](=O)[O-].[Fe+2]
InChIInChI=1S/2C12H25O3P.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;/h2*2-12H2,1H3;/q;;+2
InChIKeyLFBOTZJFKQPEFJ-UHFFFAOYSA-N
MW552.45 g/mol
LogP7.88
Rot. Bonds24

About bis(dodecoxy-oxido-oxophosphanium);iron(2+)

bis(dodecoxy-oxido-oxophosphanium);iron(2+) (PubChem CID 87602903) has the molecular formula C24H50FeO6P2+2 and a molecular weight of 552.45 g/mol. Its IUPAC name is bis(dodecoxy-oxido-oxophosphanium);iron(2+).

Molecular Properties

Compound Namebis(dodecoxy-oxido-oxophosphanium);iron(2+)
PubChem CID87602903
Molecular FormulaC24H50FeO6P2+2
Molecular Weight552.45 g/mol
Exact Mass552.24
IUPAC Namebis(dodecoxy-oxido-oxophosphanium);iron(2+)
SMILESCCCCCCCCCCCCO[P+](=O)[O-].CCCCCCCCCCCCO[P+](=O)[O-].[Fe+2]
InChIInChI=1S/2C12H25O3P.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;/h2*2-12H2,1H3;/q;;+2
InChIKeyLFBOTZJFKQPEFJ-UHFFFAOYSA-N
XLogP7.88
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.45
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

oxido-oxo-tetracosoxyphosphanium
CID 57352033
calcium bis(octoxy-oxido-oxophosphanium)
CID 57351629
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
ethane-1,2-diamine;oxido-oxo-(5-phosphooxypentoxy)phosphanium
CID 22174412
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
magnesium bis(oxido-oxo-propoxyphosphanium)
CID 158469666
hydroxy-oxo-(6-phosphooxyhexoxy)phosphanium
CID 22644301

Frequently Asked Questions

What is the IUPAC name of bis(dodecoxy-oxido-oxophosphanium);iron(2+)?
The IUPAC name of bis(dodecoxy-oxido-oxophosphanium);iron(2+) (CID 87602903) is bis(dodecoxy-oxido-oxophosphanium);iron(2+).
What is the SMILES notation for bis(dodecoxy-oxido-oxophosphanium);iron(2+)?
The canonical SMILES for bis(dodecoxy-oxido-oxophosphanium);iron(2+) is CCCCCCCCCCCCO[P+](=O)[O-].CCCCCCCCCCCCO[P+](=O)[O-].[Fe+2].
What is the InChIKey of bis(dodecoxy-oxido-oxophosphanium);iron(2+)?
The InChIKey is LFBOTZJFKQPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25O3P.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;/h2*2-12H2,1H3;/q;;+2.
What are the key properties of bis(dodecoxy-oxido-oxophosphanium);iron(2+)?
bis(dodecoxy-oxido-oxophosphanium);iron(2+) has a molecular weight of 552.45 g/mol, XLogP of 7.88, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodecoxy-oxido-oxophosphanium);iron(2+) is sourced from PubChem (CID 87602903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).