mercury(2+);bis(5-methylnaphthalene-1-carboxylate)

C24H18HgO4 — CID 22604523

IUPACmercury(2+);bis(5-methylnaphthalene-1-carboxylate)
SMILESCc1cccc2c(C(=O)[O-])cccc12.Cc1cccc2c(C(=O)[O-])cccc12.[Hg+2]
InChIInChI=1S/2C12H10O2.Hg/c2*1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14;/h2*2-7H,1H3,(H,13,14);/q;;+2/p-2
InChIKeyPXROFNKXRUIWLZ-UHFFFAOYSA-L
MW570.99 g/mol
LogP3.02
Rot. Bonds2

About mercury(2+);bis(5-methylnaphthalene-1-carboxylate)

mercury(2+);bis(5-methylnaphthalene-1-carboxylate) (PubChem CID 22604523) has the molecular formula C24H18HgO4 and a molecular weight of 570.99 g/mol. Its IUPAC name is mercury(2+);bis(5-methylnaphthalene-1-carboxylate).

Molecular Properties

Compound Namemercury(2+);bis(5-methylnaphthalene-1-carboxylate)
PubChem CID22604523
Molecular FormulaC24H18HgO4
Molecular Weight570.99 g/mol
Exact Mass572.09
IUPAC Namemercury(2+);bis(5-methylnaphthalene-1-carboxylate)
SMILESCc1cccc2c(C(=O)[O-])cccc12.Cc1cccc2c(C(=O)[O-])cccc12.[Hg+2]
InChIInChI=1S/2C12H10O2.Hg/c2*1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14;/h2*2-7H,1H3,(H,13,14);/q;;+2/p-2
InChIKeyPXROFNKXRUIWLZ-UHFFFAOYSA-L
XLogP3.02
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.99
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
1-(5-methylnaphthalen-1-yl)prop-2-en-1-one
CID 89106757
1,5-dimethylnaphthalene
CID 162159355
aluminum tris(4-methylquinoline-8-carboxylate)
CID 23160254
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099
disodium;5-sulfonatonaphthalene-1-carboxylate
CID 160700903
silver 3-methyl-2-nitrobenzoate
CID 162078770
2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947
cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)
CID 22604879

Frequently Asked Questions

What is the IUPAC name of mercury(2+);bis(5-methylnaphthalene-1-carboxylate)?
The IUPAC name of mercury(2+);bis(5-methylnaphthalene-1-carboxylate) (CID 22604523) is mercury(2+);bis(5-methylnaphthalene-1-carboxylate).
What is the SMILES notation for mercury(2+);bis(5-methylnaphthalene-1-carboxylate)?
The canonical SMILES for mercury(2+);bis(5-methylnaphthalene-1-carboxylate) is Cc1cccc2c(C(=O)[O-])cccc12.Cc1cccc2c(C(=O)[O-])cccc12.[Hg+2].
What is the InChIKey of mercury(2+);bis(5-methylnaphthalene-1-carboxylate)?
The InChIKey is PXROFNKXRUIWLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10O2.Hg/c2*1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14;/h2*2-7H,1H3,(H,13,14);/q;;+2/p-2.
What are the key properties of mercury(2+);bis(5-methylnaphthalene-1-carboxylate)?
mercury(2+);bis(5-methylnaphthalene-1-carboxylate) has a molecular weight of 570.99 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);bis(5-methylnaphthalene-1-carboxylate) is sourced from PubChem (CID 22604523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).