magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium

C12H20MgNO3+ — CID 172995002

IUPACmagnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC(=O)c1ccccc1O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H17NO3.Mg.2H/c1-13(2,3)8-9-16-12(15)10-6-4-5-7-11(10)14;;;/h4-7H,8-9H2,1-3H3;;;/q;+2;2*-1/p+1
InChIKeyGOWVVHMYZOUHRR-UHFFFAOYSA-O
MW250.60 g/mol
LogP1.10
Rot. Bonds4

About magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium

magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium (PubChem CID 172995002) has the molecular formula C12H20MgNO3+ and a molecular weight of 250.60 g/mol. Its IUPAC name is magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium.

Molecular Properties

Compound Namemagnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium
PubChem CID172995002
Molecular FormulaC12H20MgNO3+
Molecular Weight250.60 g/mol
Exact Mass250.13
IUPAC Namemagnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC(=O)c1ccccc1O.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H17NO3.Mg.2H/c1-13(2,3)8-9-16-12(15)10-6-4-5-7-11(10)14;;;/h4-7H,8-9H2,1-3H3;;;/q;+2;2*-1/p+1
InChIKeyGOWVVHMYZOUHRR-UHFFFAOYSA-O
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide
CID 24836782
CID 66765974
CID 66765974
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991
2-(4-amino-2-hydroxybenzoyl)oxyethyl-trimethylazanium chloride
CID 18466334
bismuth;2-(2-hydroxybenzoyl)oxyacetic acid;2-hydroxyethyl(trimethyl)azanium
CID 88801440
2-chloroethyl 2-hydroxybenzoate
CID 13052757
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
calcium;hydride;tetradecyl 2-hydroxybenzoate
CID 174852965
sodium;hydride;octadecyl 2-hydroxybenzoate
CID 174913846
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
ethyl-[2-[2-[2-[ethyl(dimethyl)azaniumyl]ethoxycarbonyl]benzoyl]oxyethyl]-dimethylazanium diiodide
CID 24833210
hexyl 2-hydroxybenzoate
CID 22629

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium?
The IUPAC name of magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium (CID 172995002) is magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium.
What is the SMILES notation for magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium?
The canonical SMILES for magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium is C[N+](C)(C)CCOC(=O)c1ccccc1O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium?
The InChIKey is GOWVVHMYZOUHRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17NO3.Mg.2H/c1-13(2,3)8-9-16-12(15)10-6-4-5-7-11(10)14;;;/h4-7H,8-9H2,1-3H3;;;/q;+2;2*-1/p+1.
What are the key properties of magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium?
magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium has a molecular weight of 250.60 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium is sourced from PubChem (CID 172995002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).