magnesium bis(naphthalene-2-carboxylate)

C22H14MgO4 — CID 21264818

IUPACmagnesium bis(naphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Mg+2]
InChIInChI=1S/2C11H8O2.Mg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKeyOFUAIAKLWWIPTC-UHFFFAOYSA-L
MW366.66 g/mol
LogP2.03
Rot. Bonds2

About magnesium bis(naphthalene-2-carboxylate)

magnesium bis(naphthalene-2-carboxylate) (PubChem CID 21264818) has the molecular formula C22H14MgO4 and a molecular weight of 366.66 g/mol. Its IUPAC name is magnesium bis(naphthalene-2-carboxylate).

Molecular Properties

Compound Namemagnesium bis(naphthalene-2-carboxylate)
PubChem CID21264818
Molecular FormulaC22H14MgO4
Molecular Weight366.66 g/mol
Exact Mass366.07
IUPAC Namemagnesium bis(naphthalene-2-carboxylate)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Mg+2]
InChIInChI=1S/2C11H8O2.Mg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKeyOFUAIAKLWWIPTC-UHFFFAOYSA-L
XLogP2.03
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.66
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(naphthalene-2-carboxylate)?
The IUPAC name of magnesium bis(naphthalene-2-carboxylate) (CID 21264818) is magnesium bis(naphthalene-2-carboxylate).
What is the SMILES notation for magnesium bis(naphthalene-2-carboxylate)?
The canonical SMILES for magnesium bis(naphthalene-2-carboxylate) is O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Mg+2].
What is the InChIKey of magnesium bis(naphthalene-2-carboxylate)?
The InChIKey is OFUAIAKLWWIPTC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O2.Mg/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2.
What are the key properties of magnesium bis(naphthalene-2-carboxylate)?
magnesium bis(naphthalene-2-carboxylate) has a molecular weight of 366.66 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(naphthalene-2-carboxylate) is sourced from PubChem (CID 21264818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).