trimagnesium;phthalate

C24H12Mg3O12 — CID 142758668

IUPACtrimagnesium;phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/3C8H6O4.3Mg/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h3*1-4H,(H,9,10)(H,11,12);;;/q;;;3*+2/p-6
InChIKeyAOWWCTWYECGQKD-UHFFFAOYSA-H
MW565.26 g/mol
LogP-5.90
Rot. Bonds6

About trimagnesium;phthalate

trimagnesium;phthalate (PubChem CID 142758668) has the molecular formula C24H12Mg3O12 and a molecular weight of 565.26 g/mol. Its IUPAC name is trimagnesium;phthalate.

Molecular Properties

Compound Nametrimagnesium;phthalate
PubChem CID142758668
Molecular FormulaC24H12Mg3O12
Molecular Weight565.26 g/mol
Exact Mass563.99
IUPAC Nametrimagnesium;phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/3C8H6O4.3Mg/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h3*1-4H,(H,9,10)(H,11,12);;;/q;;;3*+2/p-6
InChIKeyAOWWCTWYECGQKD-UHFFFAOYSA-H
XLogP-5.90
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.26
LogP ≤ 5-5.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
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strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619
dibismuth;phthalate;urea
CID 161346860
2-carboxybenzoate;rubidium(1+)
CID 23665340
2-carboxybenzoate;thallium(1+)
CID 101403196
2-carbamoylbenzoate
CID 3373391
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Frequently Asked Questions

What is the IUPAC name of trimagnesium;phthalate?
The IUPAC name of trimagnesium;phthalate (CID 142758668) is trimagnesium;phthalate.
What is the SMILES notation for trimagnesium;phthalate?
The canonical SMILES for trimagnesium;phthalate is O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;phthalate?
The InChIKey is AOWWCTWYECGQKD-UHFFFAOYSA-H. The full InChI is InChI=1S/3C8H6O4.3Mg/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h3*1-4H,(H,9,10)(H,11,12);;;/q;;;3*+2/p-6.
What are the key properties of trimagnesium;phthalate?
trimagnesium;phthalate has a molecular weight of 565.26 g/mol, XLogP of -5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;phthalate is sourced from PubChem (CID 142758668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).