magnesium;benzenecarboperoxoic acid;hydride;hexahydrate

C7H20MgO9 — CID 174404626

IUPACmagnesium;benzenecarboperoxoic acid;hydride;hexahydrate
SMILESO.O.O.O.O.O.O=C(OO)c1ccccc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H6O3.Mg.6H2O.2H/c8-7(10-9)6-4-2-1-3-5-6;;;;;;;;;/h1-5,9H;;6*1H2;;/q;+2;;;;;;;2*-1
InChIKeyGGQDMVJYSNUMLU-UHFFFAOYSA-N
MW272.53 g/mol
LogP-3.79
Rot. Bonds1

About magnesium;benzenecarboperoxoic acid;hydride;hexahydrate

magnesium;benzenecarboperoxoic acid;hydride;hexahydrate (PubChem CID 174404626) has the molecular formula C7H20MgO9 and a molecular weight of 272.53 g/mol. Its IUPAC name is magnesium;benzenecarboperoxoic acid;hydride;hexahydrate.

Molecular Properties

Compound Namemagnesium;benzenecarboperoxoic acid;hydride;hexahydrate
PubChem CID174404626
Molecular FormulaC7H20MgO9
Molecular Weight272.53 g/mol
Exact Mass272.10
IUPAC Namemagnesium;benzenecarboperoxoic acid;hydride;hexahydrate
SMILESO.O.O.O.O.O.O=C(OO)c1ccccc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H6O3.Mg.6H2O.2H/c8-7(10-9)6-4-2-1-3-5-6;;;;;;;;;/h1-5,9H;;6*1H2;;/q;+2;;;;;;;2*-1
InChIKeyGGQDMVJYSNUMLU-UHFFFAOYSA-N
XLogP-3.79
TPSA235.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 5-3.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze magnesium;benzenecarboperoxoic acid;hydride;hexahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzenecarboperoxoic acid;propane
CID 87106834
benzenecarboperoxoic acid;thiophene
CID 174655915
benzenecarboperoxoic acid;tert-butyl benzenecarboperoxoate
CID 87085937
azane;4-carbonoperoxoylbenzoic acid
CID 175182628
methyl benzoate;hydrate
CID 141218240
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
magnesium;diphenylmethanone;hydride
CID 175114327
benzenecarboperoxoic acid;butyl benzenecarboperoxoate
CID 87774201
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791

Frequently Asked Questions

What is the IUPAC name of magnesium;benzenecarboperoxoic acid;hydride;hexahydrate?
The IUPAC name of magnesium;benzenecarboperoxoic acid;hydride;hexahydrate (CID 174404626) is magnesium;benzenecarboperoxoic acid;hydride;hexahydrate.
What is the SMILES notation for magnesium;benzenecarboperoxoic acid;hydride;hexahydrate?
The canonical SMILES for magnesium;benzenecarboperoxoic acid;hydride;hexahydrate is O.O.O.O.O.O.O=C(OO)c1ccccc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;benzenecarboperoxoic acid;hydride;hexahydrate?
The InChIKey is GGQDMVJYSNUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Mg.6H2O.2H/c8-7(10-9)6-4-2-1-3-5-6;;;;;;;;;/h1-5,9H;;6*1H2;;/q;+2;;;;;;;2*-1.
What are the key properties of magnesium;benzenecarboperoxoic acid;hydride;hexahydrate?
magnesium;benzenecarboperoxoic acid;hydride;hexahydrate has a molecular weight of 272.53 g/mol, XLogP of -3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzenecarboperoxoic acid;hydride;hexahydrate is sourced from PubChem (CID 174404626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).