octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide

C8H3Mg8O24+ — CID 59629024

IUPACoctamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide
SMILESO=[C-]OO.O=[C-]OO.O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-][O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-]
InChIInChI=1S/7CHO3.CO2.8Mg.H2O/c7*2-1-4-3;2-1-3;;;;;;;;;/h7*3H;;;;;;;;;;1H2/q7*-1;-2;8*+2;/p-6
InChIKeyAVZVUAUKKFFPQM-UHFFFAOYSA-H
MW677.53 g/mol
LogP-14.13
Rot. Bonds7

About octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide

octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide (PubChem CID 59629024) has the molecular formula C8H3Mg8O24+ and a molecular weight of 677.53 g/mol. Its IUPAC name is octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide.

Molecular Properties

Compound Nameoctamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide
PubChem CID59629024
Molecular FormulaC8H3Mg8O24+
Molecular Weight677.53 g/mol
Exact Mass674.78
IUPAC Nameoctamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide
SMILESO=[C-]OO.O=[C-]OO.O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-][O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-]
InChIInChI=1S/7CHO3.CO2.8Mg.H2O/c7*2-1-4-3;2-1-3;;;;;;;;;/h7*3H;;;;;;;;;;1H2/q7*-1;-2;8*+2;/p-6
InChIKeyAVZVUAUKKFFPQM-UHFFFAOYSA-H
XLogP-14.13
TPSA409.99 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.53
LogP ≤ 5-14.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide?
The IUPAC name of octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide (CID 59629024) is octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide.
What is the SMILES notation for octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide?
The canonical SMILES for octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide is O=[C-]OO.O=[C-]OO.O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].O=[C-][O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].
What is the InChIKey of octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide?
The InChIKey is AVZVUAUKKFFPQM-UHFFFAOYSA-H. The full InChI is InChI=1S/7CHO3.CO2.8Mg.H2O/c7*2-1-4-3;2-1-3;;;;;;;;;/h7*3H;;;;;;;;;;1H2/q7*-1;-2;8*+2;/p-6.
What are the key properties of octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide?
octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide has a molecular weight of 677.53 g/mol, XLogP of -14.13, 7 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide is sourced from PubChem (CID 59629024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).