magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)

C44H82MgO8 — CID 173046343

IUPACmagnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C18H36O2.2C4H6O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4(5)6;/h2*2-17H2,1H3,(H,19,20);2*1H2,2H3,(H,5,6);/q;;;;+2/p-2
InChIKeyIXOLPFXGTPSSPC-UHFFFAOYSA-L
MW763.44 g/mol
LogP10.91
Rot. Bonds34

About magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)

magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate) (PubChem CID 173046343) has the molecular formula C44H82MgO8 and a molecular weight of 763.44 g/mol. Its IUPAC name is magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate).

Molecular Properties

Compound Namemagnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)
PubChem CID173046343
Molecular FormulaC44H82MgO8
Molecular Weight763.44 g/mol
Exact Mass762.59
IUPAC Namemagnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/2C18H36O2.2C4H6O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4(5)6;/h2*2-17H2,1H3,(H,19,20);2*1H2,2H3,(H,5,6);/q;;;;+2/p-2
InChIKeyIXOLPFXGTPSSPC-UHFFFAOYSA-L
XLogP10.91
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds34
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.44
LogP ≤ 510.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 175591716
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CID 19043233
magnesium bis(undecanoate)
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dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
sodium;acetic acid;dodecanoate
CID 162049902
dodecanoate;tin(2+);acetate
CID 157367656
magnesium;octanoate;chloride
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magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)?
The IUPAC name of magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate) (CID 173046343) is magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate).
What is the SMILES notation for magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)?
The canonical SMILES for magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate) is C=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)?
The InChIKey is IXOLPFXGTPSSPC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.2C4H6O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4(5)6;/h2*2-17H2,1H3,(H,19,20);2*1H2,2H3,(H,5,6);/q;;;;+2/p-2.
What are the key properties of magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate)?
magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate) has a molecular weight of 763.44 g/mol, XLogP of 10.91, 34 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(2-methylprop-2-enoic acid);bis(octadecanoate) is sourced from PubChem (CID 173046343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).