magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)

C72H132FeMgO8 — CID 173033354

IUPACmagnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Fe+2].[Mg+2]
InChIInChI=1S/4C18H34O2.Fe.Mg/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;;;;2*+2/p-4/b4*10-9-;;
InChIKeyVIQVKQDRSYSSRF-HVBBXQNNSA-J
MW1205.99 g/mol
LogP18.71
Rot. Bonds60

About magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)

magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate) (PubChem CID 173033354) has the molecular formula C72H132FeMgO8 and a molecular weight of 1205.99 g/mol. Its IUPAC name is magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate).

Molecular Properties

Compound Namemagnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)
PubChem CID173033354
Molecular FormulaC72H132FeMgO8
Molecular Weight1205.99 g/mol
Exact Mass1204.91
IUPAC Namemagnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Fe+2].[Mg+2]
InChIInChI=1S/4C18H34O2.Fe.Mg/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;;;;2*+2/p-4/b4*10-9-;;
InChIKeyVIQVKQDRSYSSRF-HVBBXQNNSA-J
XLogP18.71
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds60
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.99
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

iron(2+);bis((Z)-octadec-11-enoate)
CID 175691867
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
iron(3+);(Z)-octadec-9-enoate
CID 22297787
lithium (Z)-octadec-9-enoate
CID 23673654
tris(octadec-9-enoate);thulium(3+)
CID 173065522
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848

Frequently Asked Questions

What is the IUPAC name of magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)?
The IUPAC name of magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate) (CID 173033354) is magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate).
What is the SMILES notation for magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)?
The canonical SMILES for magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate) is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Fe+2].[Mg+2].
What is the InChIKey of magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)?
The InChIKey is VIQVKQDRSYSSRF-HVBBXQNNSA-J. The full InChI is InChI=1S/4C18H34O2.Fe.Mg/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h4*9-10H,2-8,11-17H2,1H3,(H,19,20);;/q;;;;2*+2/p-4/b4*10-9-;;.
What are the key properties of magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate)?
magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate) has a molecular weight of 1205.99 g/mol, XLogP of 18.71, 60 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;iron(2+);tetrakis((Z)-octadec-9-enoate) is sourced from PubChem (CID 173033354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).