magnesium;hydride;naphthalene-1-carboperoxoic acid

C11H10MgO3 — CID 175368397

IUPACmagnesium;hydride;naphthalene-1-carboperoxoic acid
SMILESO=C(OO)c1cccc2ccccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H8O3.Mg.2H/c12-11(14-13)10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7,13H;;;/q;+2;2*-1
InChIKeyQTPJZJSAWUDPQP-UHFFFAOYSA-N
MW214.50 g/mol
LogP2.31
Rot. Bonds1

About magnesium;hydride;naphthalene-1-carboperoxoic acid

magnesium;hydride;naphthalene-1-carboperoxoic acid (PubChem CID 175368397) has the molecular formula C11H10MgO3 and a molecular weight of 214.50 g/mol. Its IUPAC name is magnesium;hydride;naphthalene-1-carboperoxoic acid.

Molecular Properties

Compound Namemagnesium;hydride;naphthalene-1-carboperoxoic acid
PubChem CID175368397
Molecular FormulaC11H10MgO3
Molecular Weight214.50 g/mol
Exact Mass214.05
IUPAC Namemagnesium;hydride;naphthalene-1-carboperoxoic acid
SMILESO=C(OO)c1cccc2ccccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C11H8O3.Mg.2H/c12-11(14-13)10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7,13H;;;/q;+2;2*-1
InChIKeyQTPJZJSAWUDPQP-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.50
LogP ≤ 52.31
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'}

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Related Compounds

sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
bromo naphthalene-1-carboxylate
CID 68796403
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
naphthalene-1-carbonyl iodide
CID 87393513
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
calcium;hydride;nitro naphthalene-1-carboxylate
CID 174900820
CID 129133768
CID 129133768
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
sodium;hydride;3-hydroxypropyl naphthalene-1-carboxylate
CID 174690004
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;naphthalene-1-carboperoxoic acid?
The IUPAC name of magnesium;hydride;naphthalene-1-carboperoxoic acid (CID 175368397) is magnesium;hydride;naphthalene-1-carboperoxoic acid.
What is the SMILES notation for magnesium;hydride;naphthalene-1-carboperoxoic acid?
The canonical SMILES for magnesium;hydride;naphthalene-1-carboperoxoic acid is O=C(OO)c1cccc2ccccc12.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;naphthalene-1-carboperoxoic acid?
The InChIKey is QTPJZJSAWUDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3.Mg.2H/c12-11(14-13)10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7,13H;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;naphthalene-1-carboperoxoic acid?
magnesium;hydride;naphthalene-1-carboperoxoic acid has a molecular weight of 214.50 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;naphthalene-1-carboperoxoic acid is sourced from PubChem (CID 175368397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).