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

C14H30FeO4P2+2 — CID 87602335

IUPACbis(heptyl-oxido-oxophosphanium);iron(2+)
SMILESCCCCCCC[P+](=O)[O-].CCCCCCC[P+](=O)[O-].[Fe+2]
InChIInChI=1S/2C7H15O2P.Fe/c2*1-2-3-4-5-6-7-10(8)9;/h2*2-7H2,1H3;/q;;+2
InChIKeyGAIAXSOQVCGUJT-UHFFFAOYSA-N
MW380.18 g/mol
LogP4.12
Rot. Bonds12

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

bis(heptyl-oxido-oxophosphanium);iron(2+) (PubChem CID 87602335) has the molecular formula C14H30FeO4P2+2 and a molecular weight of 380.18 g/mol. Its IUPAC name is bis(heptyl-oxido-oxophosphanium);iron(2+).

Molecular Properties

Compound Namebis(heptyl-oxido-oxophosphanium);iron(2+)
PubChem CID87602335
Molecular FormulaC14H30FeO4P2+2
Molecular Weight380.18 g/mol
Exact Mass380.10
IUPAC Namebis(heptyl-oxido-oxophosphanium);iron(2+)
SMILESCCCCCCC[P+](=O)[O-].CCCCCCC[P+](=O)[O-].[Fe+2]
InChIInChI=1S/2C7H15O2P.Fe/c2*1-2-3-4-5-6-7-10(8)9;/h2*2-7H2,1H3;/q;;+2
InChIKeyGAIAXSOQVCGUJT-UHFFFAOYSA-N
XLogP4.12
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

cobalt(2+);bis(octadecyl-oxido-oxophosphanium)
CID 140747211
sodium octadecyl-oxido-oxophosphanium
CID 88687817
chromium(2+);bis(oxido-oxo-pentylphosphanium)
CID 18626741
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033
calcium bis(octoxy-oxido-oxophosphanium)
CID 57351629
hydroxy-octyl-oxophosphanium;nickel
CID 87136142
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
neodymium;octoxy-octyl-oxophosphanium
CID 174731713
disulfanyl-hexyl-oxophosphanium
CID 175340407
dioxido(oxo)phosphanium;heptane;neodymium(3+)
CID 162000198

Frequently Asked Questions

What is the IUPAC name of bis(heptyl-oxido-oxophosphanium);iron(2+)?
The IUPAC name of bis(heptyl-oxido-oxophosphanium);iron(2+) (CID 87602335) is bis(heptyl-oxido-oxophosphanium);iron(2+).
What is the SMILES notation for bis(heptyl-oxido-oxophosphanium);iron(2+)?
The canonical SMILES for bis(heptyl-oxido-oxophosphanium);iron(2+) is CCCCCCC[P+](=O)[O-].CCCCCCC[P+](=O)[O-].[Fe+2].
What is the InChIKey of bis(heptyl-oxido-oxophosphanium);iron(2+)?
The InChIKey is GAIAXSOQVCGUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15O2P.Fe/c2*1-2-3-4-5-6-7-10(8)9;/h2*2-7H2,1H3;/q;;+2.
What are the key properties of bis(heptyl-oxido-oxophosphanium);iron(2+)?
bis(heptyl-oxido-oxophosphanium);iron(2+) has a molecular weight of 380.18 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(heptyl-oxido-oxophosphanium);iron(2+) is sourced from PubChem (CID 87602335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).