magnesium;acetic acid;octadecanoate;acetate

C24H46MgO8 — CID 175591716

IUPACmagnesium;acetic acid;octadecanoate;acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/C18H36O2.3C2H4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2(3)4;/h2-17H2,1H3,(H,19,20);3*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyABTLGEGLQHWSQK-UHFFFAOYSA-L
MW486.93 g/mol
LogP3.56
Rot. Bonds16

About magnesium;acetic acid;octadecanoate;acetate

magnesium;acetic acid;octadecanoate;acetate (PubChem CID 175591716) has the molecular formula C24H46MgO8 and a molecular weight of 486.93 g/mol. Its IUPAC name is magnesium;acetic acid;octadecanoate;acetate.

Molecular Properties

Compound Namemagnesium;acetic acid;octadecanoate;acetate
PubChem CID175591716
Molecular FormulaC24H46MgO8
Molecular Weight486.93 g/mol
Exact Mass486.30
IUPAC Namemagnesium;acetic acid;octadecanoate;acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
InChIInChI=1S/C18H36O2.3C2H4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2(3)4;/h2-17H2,1H3,(H,19,20);3*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyABTLGEGLQHWSQK-UHFFFAOYSA-L
XLogP3.56
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium;acetic acid;dodecanoate
CID 162049902
magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
dimagnesium bis(octadecanoate)
CID 19043233
dimagnesium;tetrakis(octanoate)
CID 160745729
trimagnesium;tris(octadecanoate)
CID 159626374
magnesium;cerium(3+);octadecanoate;oxygen(2-)
CID 160620488
magnesium;octanoate;chloride
CID 172837629
dodecanoate;tin(2+);acetate
CID 157367656
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of magnesium;acetic acid;octadecanoate;acetate?
The IUPAC name of magnesium;acetic acid;octadecanoate;acetate (CID 175591716) is magnesium;acetic acid;octadecanoate;acetate.
What is the SMILES notation for magnesium;acetic acid;octadecanoate;acetate?
The canonical SMILES for magnesium;acetic acid;octadecanoate;acetate is CC(=O)O.CC(=O)O.CC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;acetic acid;octadecanoate;acetate?
The InChIKey is ABTLGEGLQHWSQK-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H36O2.3C2H4O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2(3)4;/h2-17H2,1H3,(H,19,20);3*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of magnesium;acetic acid;octadecanoate;acetate?
magnesium;acetic acid;octadecanoate;acetate has a molecular weight of 486.93 g/mol, XLogP of 3.56, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;acetic acid;octadecanoate;acetate is sourced from PubChem (CID 175591716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).