decoxy(decyl)phosphinic acid;iron

C20H43FeO3P — CID 87601920

IUPACdecoxy(decyl)phosphinic acid;iron
SMILESCCCCCCCCCCOP(=O)(O)CCCCCCCCCC.[Fe]
InChIInChI=1S/C20H43O3P.Fe/c1-3-5-7-9-11-13-15-17-19-23-24(21,22)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);
InChIKeyGKDACXWODIPSEJ-UHFFFAOYSA-N
MW418.38 g/mol
LogP7.47
Rot. Bonds19

About decoxy(decyl)phosphinic acid;iron

decoxy(decyl)phosphinic acid;iron (PubChem CID 87601920) has the molecular formula C20H43FeO3P and a molecular weight of 418.38 g/mol. Its IUPAC name is decoxy(decyl)phosphinic acid;iron.

Molecular Properties

Compound Namedecoxy(decyl)phosphinic acid;iron
PubChem CID87601920
Molecular FormulaC20H43FeO3P
Molecular Weight418.38 g/mol
Exact Mass418.23
IUPAC Namedecoxy(decyl)phosphinic acid;iron
SMILESCCCCCCCCCCOP(=O)(O)CCCCCCCCCC.[Fe]
InChIInChI=1S/C20H43O3P.Fe/c1-3-5-7-9-11-13-15-17-19-23-24(21,22)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);
InChIKeyGKDACXWODIPSEJ-UHFFFAOYSA-N
XLogP7.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.38
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

heptoxy(octadecyl)phosphinic acid
CID 139947141
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
2-[hydroxy(pentadecyl)phosphoryl]oxyethyl-trimethylazanium
CID 135313648
2-[hydroxy(icosyl)phosphoryl]oxyethyl-trimethylazanium
CID 174480376
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
iron;octadecyl dihydrogen phosphate
CID 175059517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
3-[dodecoxy(hydroxy)phosphoryl]propylimino-iminoazanium
CID 71710907

Frequently Asked Questions

What is the IUPAC name of decoxy(decyl)phosphinic acid;iron?
The IUPAC name of decoxy(decyl)phosphinic acid;iron (CID 87601920) is decoxy(decyl)phosphinic acid;iron.
What is the SMILES notation for decoxy(decyl)phosphinic acid;iron?
The canonical SMILES for decoxy(decyl)phosphinic acid;iron is CCCCCCCCCCOP(=O)(O)CCCCCCCCCC.[Fe].
What is the InChIKey of decoxy(decyl)phosphinic acid;iron?
The InChIKey is GKDACXWODIPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43O3P.Fe/c1-3-5-7-9-11-13-15-17-19-23-24(21,22)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H,21,22);.
What are the key properties of decoxy(decyl)phosphinic acid;iron?
decoxy(decyl)phosphinic acid;iron has a molecular weight of 418.38 g/mol, XLogP of 7.47, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy(decyl)phosphinic acid;iron is sourced from PubChem (CID 87601920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).