magnesium bis(2,2-dimethylpropanoate)

C10H18MgO4 — CID 14977427

IUPACmagnesium bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H10O2.Mg/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKeyCBUZSVKDOHZQRF-UHFFFAOYSA-L
MW226.55 g/mol
LogP-0.82
Rot. Bonds

About magnesium bis(2,2-dimethylpropanoate)

magnesium bis(2,2-dimethylpropanoate) (PubChem CID 14977427) has the molecular formula C10H18MgO4 and a molecular weight of 226.55 g/mol. Its IUPAC name is magnesium bis(2,2-dimethylpropanoate).

Molecular Properties

Compound Namemagnesium bis(2,2-dimethylpropanoate)
PubChem CID14977427
Molecular FormulaC10H18MgO4
Molecular Weight226.55 g/mol
Exact Mass226.11
IUPAC Namemagnesium bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C5H10O2.Mg/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKeyCBUZSVKDOHZQRF-UHFFFAOYSA-L
XLogP-0.82
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.55
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(2,2-dimethylpropanoate)?
The IUPAC name of magnesium bis(2,2-dimethylpropanoate) (CID 14977427) is magnesium bis(2,2-dimethylpropanoate).
What is the SMILES notation for magnesium bis(2,2-dimethylpropanoate)?
The canonical SMILES for magnesium bis(2,2-dimethylpropanoate) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2,2-dimethylpropanoate)?
The InChIKey is CBUZSVKDOHZQRF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.Mg/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2.
What are the key properties of magnesium bis(2,2-dimethylpropanoate)?
magnesium bis(2,2-dimethylpropanoate) has a molecular weight of 226.55 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2,2-dimethylpropanoate) is sourced from PubChem (CID 14977427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).