magnesium bis(2-methyl-2-phenylpropanoate)

C20H22MgO4 — CID 141248278

IUPACmagnesium bis(2-methyl-2-phenylpropanoate)
SMILESCC(C)(C(=O)[O-])c1ccccc1.CC(C)(C(=O)[O-])c1ccccc1.[Mg+2]
InChIInChI=1S/2C10H12O2.Mg/c2*1-10(2,9(11)12)8-6-4-3-5-7-8;/h2*3-7H,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyHOZLPONIWPWMHP-UHFFFAOYSA-L
MW350.70 g/mol
LogP1.05
Rot. Bonds4

About magnesium bis(2-methyl-2-phenylpropanoate)

magnesium bis(2-methyl-2-phenylpropanoate) (PubChem CID 141248278) has the molecular formula C20H22MgO4 and a molecular weight of 350.70 g/mol. Its IUPAC name is magnesium bis(2-methyl-2-phenylpropanoate).

Molecular Properties

Compound Namemagnesium bis(2-methyl-2-phenylpropanoate)
PubChem CID141248278
Molecular FormulaC20H22MgO4
Molecular Weight350.70 g/mol
Exact Mass350.14
IUPAC Namemagnesium bis(2-methyl-2-phenylpropanoate)
SMILESCC(C)(C(=O)[O-])c1ccccc1.CC(C)(C(=O)[O-])c1ccccc1.[Mg+2]
InChIInChI=1S/2C10H12O2.Mg/c2*1-10(2,9(11)12)8-6-4-3-5-7-8;/h2*3-7H,1-2H3,(H,11,12);/q;;+2/p-2
InChIKeyHOZLPONIWPWMHP-UHFFFAOYSA-L
XLogP1.05
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.70
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Felbinac
CID 3332
2-Phenylpropionic acid
CID 10296
Methyl phenylacetate
CID 7559
Phenethyl phenylacetate
CID 7601
Ibuprofen, Sodium Salt
CID 5338317
Octyl phenylacetate
CID 61050
2-Phenylbutyric Acid
CID 7012
Diphenylacetic Acid
CID 8333
Flurbiprofen Sodium
CID 23684814
Methyl p-tert-butylphenylacetate
CID 605629
Benzeneacetic acid, 4-(1,1-dimethylethyl)-
CID 118343
4-Biphenylylacetic acid ethyl ester
CID 26436

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-methyl-2-phenylpropanoate)?
The IUPAC name of magnesium bis(2-methyl-2-phenylpropanoate) (CID 141248278) is magnesium bis(2-methyl-2-phenylpropanoate).
What is the SMILES notation for magnesium bis(2-methyl-2-phenylpropanoate)?
The canonical SMILES for magnesium bis(2-methyl-2-phenylpropanoate) is CC(C)(C(=O)[O-])c1ccccc1.CC(C)(C(=O)[O-])c1ccccc1.[Mg+2].
What is the InChIKey of magnesium bis(2-methyl-2-phenylpropanoate)?
The InChIKey is HOZLPONIWPWMHP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O2.Mg/c2*1-10(2,9(11)12)8-6-4-3-5-7-8;/h2*3-7H,1-2H3,(H,11,12);/q;;+2/p-2.
What are the key properties of magnesium bis(2-methyl-2-phenylpropanoate)?
magnesium bis(2-methyl-2-phenylpropanoate) has a molecular weight of 350.70 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-methyl-2-phenylpropanoate) is sourced from PubChem (CID 141248278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).