magnesium;4-tert-butylbenzoate;hydroxide

C11H14MgO3 — CID 139776214

IUPACmagnesium;4-tert-butylbenzoate;hydroxide
SMILESCC(C)(C)c1ccc(C(=O)[O-])cc1.[Mg+2].[OH-]
InChIInChI=1S/C11H14O2.Mg.H2O/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h4-7H,1-3H3,(H,12,13);;1H2/q;+2;/p-2
InChIKeyGPTKFBPQYLMYEB-UHFFFAOYSA-L
MW218.53 g/mol
LogP0.79
Rot. Bonds1

About magnesium;4-tert-butylbenzoate;hydroxide

magnesium;4-tert-butylbenzoate;hydroxide (PubChem CID 139776214) has the molecular formula C11H14MgO3 and a molecular weight of 218.53 g/mol. Its IUPAC name is magnesium;4-tert-butylbenzoate;hydroxide.

Molecular Properties

Compound Namemagnesium;4-tert-butylbenzoate;hydroxide
PubChem CID139776214
Molecular FormulaC11H14MgO3
Molecular Weight218.53 g/mol
Exact Mass218.08
IUPAC Namemagnesium;4-tert-butylbenzoate;hydroxide
SMILESCC(C)(C)c1ccc(C(=O)[O-])cc1.[Mg+2].[OH-]
InChIInChI=1S/C11H14O2.Mg.H2O/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h4-7H,1-3H3,(H,12,13);;1H2/q;+2;/p-2
InChIKeyGPTKFBPQYLMYEB-UHFFFAOYSA-L
XLogP0.79
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.53
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

magnesium 4-tert-butylbenzoate
CID 21117899
magnesium;4-tert-butylbenzoate;2-methylbenzoate
CID 139776213
4-(trifluoromethyl)benzoate;tris(4-tert-butylphenyl)sulfanium
CID 161087334
dipotassium;terephthalate
CID 25981
dilithium;terephthalate
CID 14361651
terephthalate;vanadium(4+)
CID 157213578
4-tert-butylbenzoic acid;copper
CID 67780260
copper 4-tert-butylbenzoic acid
CID 54604773
CID 67550053
CID 67550053
(4-tert-butylphenyl)-diphenylsulfanium;4-fluorobenzoate
CID 87756598
azanium;sodium;terephthalate
CID 18352242
3,5-ditert-butylbenzoate
CID 6951692

Frequently Asked Questions

What is the IUPAC name of magnesium;4-tert-butylbenzoate;hydroxide?
The IUPAC name of magnesium;4-tert-butylbenzoate;hydroxide (CID 139776214) is magnesium;4-tert-butylbenzoate;hydroxide.
What is the SMILES notation for magnesium;4-tert-butylbenzoate;hydroxide?
The canonical SMILES for magnesium;4-tert-butylbenzoate;hydroxide is CC(C)(C)c1ccc(C(=O)[O-])cc1.[Mg+2].[OH-].
What is the InChIKey of magnesium;4-tert-butylbenzoate;hydroxide?
The InChIKey is GPTKFBPQYLMYEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14O2.Mg.H2O/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h4-7H,1-3H3,(H,12,13);;1H2/q;+2;/p-2.
What are the key properties of magnesium;4-tert-butylbenzoate;hydroxide?
magnesium;4-tert-butylbenzoate;hydroxide has a molecular weight of 218.53 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-tert-butylbenzoate;hydroxide is sourced from PubChem (CID 139776214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).