cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)

C22H26CdO4 — CID 22604739

IUPACcadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
SMILESCc1cc(C)c(C)c(C(=O)[O-])c1C.Cc1cc(C)c(C)c(C(=O)[O-])c1C.[Cd+2]
InChIInChI=1S/2C11H14O2.Cd/c2*1-6-5-7(2)9(4)10(8(6)3)11(12)13;/h2*5H,1-4H3,(H,12,13);/q;;+2/p-2
InChIKeyYQIVVLUHOHWDRX-UHFFFAOYSA-L
MW466.86 g/mol
LogP2.57
Rot. Bonds2

About cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)

cadmium(2+);bis(2,3,5,6-tetramethylbenzoate) (PubChem CID 22604739) has the molecular formula C22H26CdO4 and a molecular weight of 466.86 g/mol. Its IUPAC name is cadmium(2+);bis(2,3,5,6-tetramethylbenzoate).

Molecular Properties

Compound Namecadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
PubChem CID22604739
Molecular FormulaC22H26CdO4
Molecular Weight466.86 g/mol
Exact Mass468.09
IUPAC Namecadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
SMILESCc1cc(C)c(C)c(C(=O)[O-])c1C.Cc1cc(C)c(C)c(C(=O)[O-])c1C.[Cd+2]
InChIInChI=1S/2C11H14O2.Cd/c2*1-6-5-7(2)9(4)10(8(6)3)11(12)13;/h2*5H,1-4H3,(H,12,13);/q;;+2/p-2
InChIKeyYQIVVLUHOHWDRX-UHFFFAOYSA-L
XLogP2.57
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.86
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(iron(3+));tris(2,3,5,6-tetramethylterephthalate)
CID 160653230
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
2-methyl-1-(2,3,5,6-tetramethylphenyl)prop-2-en-1-one
CID 82282536
sodium 2,3,4,5-tetramethylbenzoate
CID 139724708
2-bromo-2,2-difluoro-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 146008012
indium(3+);tris(2,3,5-trimethylbenzoate)
CID 22604763
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
3-oxo-3-(2,3,5,6-tetramethylphenyl)propanal
CID 82469980
2-methyl-3-oxo-3-(2,3,5,6-tetramethylphenyl)propanoic acid
CID 116918196
(E)-3-(2,3,5,6-tetramethylphenyl)but-2-enoic acid
CID 82285492

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)?
The IUPAC name of cadmium(2+);bis(2,3,5,6-tetramethylbenzoate) (CID 22604739) is cadmium(2+);bis(2,3,5,6-tetramethylbenzoate).
What is the SMILES notation for cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)?
The canonical SMILES for cadmium(2+);bis(2,3,5,6-tetramethylbenzoate) is Cc1cc(C)c(C)c(C(=O)[O-])c1C.Cc1cc(C)c(C)c(C(=O)[O-])c1C.[Cd+2].
What is the InChIKey of cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)?
The InChIKey is YQIVVLUHOHWDRX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H14O2.Cd/c2*1-6-5-7(2)9(4)10(8(6)3)11(12)13;/h2*5H,1-4H3,(H,12,13);/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)?
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate) has a molecular weight of 466.86 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2,3,5,6-tetramethylbenzoate) is sourced from PubChem (CID 22604739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).