lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate

H30BrClLiMg2NO18+2 — CID 172738339

IUPAClithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Br-].[Cl-].[Li+].[Mg+2].[Mg+2]
InChIInChI=1S/BrH.ClH.Li.2Mg.NO3.15H2O/c;;;;;2-1(3)4;;;;;;;;;;;;;;;/h2*1H;;;;;15*1H2/q;;+1;2*+2;-1;;;;;;;;;;;;;;;/p-2
InChIKeyITDKOXNBCINGMA-UHFFFAOYSA-L
MW503.14 g/mol
LogP-22.36
Rot. Bonds

About lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate

lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate (PubChem CID 172738339) has the molecular formula H30BrClLiMg2NO18+2 and a molecular weight of 503.14 g/mol. Its IUPAC name is lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate.

Molecular Properties

Compound Namelithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate
PubChem CID172738339
Molecular FormulaH30BrClLiMg2NO18+2
Molecular Weight503.14 g/mol
Exact Mass501.02
IUPAC Namelithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Br-].[Cl-].[Li+].[Mg+2].[Mg+2]
InChIInChI=1S/BrH.ClH.Li.2Mg.NO3.15H2O/c;;;;;2-1(3)4;;;;;;;;;;;;;;;/h2*1H;;;;;15*1H2/q;;+1;2*+2;-1;;;;;;;;;;;;;;;/p-2
InChIKeyITDKOXNBCINGMA-UHFFFAOYSA-L
XLogP-22.36
TPSA538.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.14
LogP ≤ 5-22.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimagnesium;chloride;nitrate;dodecahydrate
CID 158606377
thorium(2+);nitrate;dodecahydrate
CID 18183560
uranium;hexanitrate;hexahydrate
CID 159919370
platinum(2+);dinitrate;hydrate
CID 172723097
dilithium;hydroxide;nitrate
CID 157449079
beryllium;nitrate;tetrahydrate
CID 19806872
yttrium;zirconium;nitrate
CID 173223635
ytterbium;nitrate;tetrahydrate
CID 18185938
bis(yttrium(3+));hexanitrate;heptahydrate
CID 139054016
holmium;nitrate;trihydrate
CID 173334305
cobalt;nitrate;tetrahydrate
CID 173115320
rhodium(3+);trinitrate;hexahydrate
CID 159957090

Frequently Asked Questions

What is the IUPAC name of lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate?
The IUPAC name of lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate (CID 172738339) is lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate.
What is the SMILES notation for lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate?
The canonical SMILES for lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Br-].[Cl-].[Li+].[Mg+2].[Mg+2].
What is the InChIKey of lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate?
The InChIKey is ITDKOXNBCINGMA-UHFFFAOYSA-L. The full InChI is InChI=1S/BrH.ClH.Li.2Mg.NO3.15H2O/c;;;;;2-1(3)4;;;;;;;;;;;;;;;/h2*1H;;;;;15*1H2/q;;+1;2*+2;-1;;;;;;;;;;;;;;;/p-2.
What are the key properties of lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate?
lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate has a molecular weight of 503.14 g/mol, XLogP of -22.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dimagnesium;bromide;chloride;nitrate;pentadecahydrate is sourced from PubChem (CID 172738339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).