cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)

C24H18CdO4 — CID 22604879

IUPACcadmium(2+);bis(6-methylnaphthalene-1-carboxylate)
SMILESCc1ccc2c(C(=O)[O-])cccc2c1.Cc1ccc2c(C(=O)[O-])cccc2c1.[Cd+2]
InChIInChI=1S/2C12H10O2.Cd/c2*1-8-5-6-10-9(7-8)3-2-4-11(10)12(13)14;/h2*2-7H,1H3,(H,13,14);/q;;+2/p-2
InChIKeyILAYBUQTMNQYSK-UHFFFAOYSA-L
MW482.82 g/mol
LogP3.02
Rot. Bonds2

About cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)

cadmium(2+);bis(6-methylnaphthalene-1-carboxylate) (PubChem CID 22604879) has the molecular formula C24H18CdO4 and a molecular weight of 482.82 g/mol. Its IUPAC name is cadmium(2+);bis(6-methylnaphthalene-1-carboxylate).

Molecular Properties

Compound Namecadmium(2+);bis(6-methylnaphthalene-1-carboxylate)
PubChem CID22604879
Molecular FormulaC24H18CdO4
Molecular Weight482.82 g/mol
Exact Mass484.02
IUPAC Namecadmium(2+);bis(6-methylnaphthalene-1-carboxylate)
SMILESCc1ccc2c(C(=O)[O-])cccc2c1.Cc1ccc2c(C(=O)[O-])cccc2c1.[Cd+2]
InChIInChI=1S/2C12H10O2.Cd/c2*1-8-5-6-10-9(7-8)3-2-4-11(10)12(13)14;/h2*2-7H,1H3,(H,13,14);/q;;+2/p-2
InChIKeyILAYBUQTMNQYSK-UHFFFAOYSA-L
XLogP3.02
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.82
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
2-methyl-3-(6-methylnaphthalen-1-yl)-3-oxopropanoic acid
CID 70479628
disodium bis(anthracene-1-carboxylate)
CID 155667370
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077
6-(6-methylnaphthalen-1-yl)benzene-1,2,3,4,5-pentol
CID 163465099
(6-methylnaphthalen-1-yl) acetate
CID 14143439
magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
CID 22987477
dipotassium;4-methylphthalate
CID 140576906
mercury(2+);bis(5-methylnaphthalene-1-carboxylate)
CID 22604523
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
1,6-dimethylnaphthalene;2,4,6-trinitrophenol
CID 71334987

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)?
The IUPAC name of cadmium(2+);bis(6-methylnaphthalene-1-carboxylate) (CID 22604879) is cadmium(2+);bis(6-methylnaphthalene-1-carboxylate).
What is the SMILES notation for cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)?
The canonical SMILES for cadmium(2+);bis(6-methylnaphthalene-1-carboxylate) is Cc1ccc2c(C(=O)[O-])cccc2c1.Cc1ccc2c(C(=O)[O-])cccc2c1.[Cd+2].
What is the InChIKey of cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)?
The InChIKey is ILAYBUQTMNQYSK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10O2.Cd/c2*1-8-5-6-10-9(7-8)3-2-4-11(10)12(13)14;/h2*2-7H,1H3,(H,13,14);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(6-methylnaphthalene-1-carboxylate)?
cadmium(2+);bis(6-methylnaphthalene-1-carboxylate) has a molecular weight of 482.82 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 cadmium(2+);bis(6-methylnaphthalene-1-carboxylate) is sourced from PubChem (CID 22604879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).