bis(2-tert-butylbenzoate);cadmium(2+)

C22H26CdO4 — CID 71436894

IUPACbis(2-tert-butylbenzoate);cadmium(2+)
SMILESCC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c1ccccc1C(=O)[O-].[Cd+2]
InChIInChI=1S/2C11H14O2.Cd/c2*1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
InChIKeyOAENBOQRJFURKV-UHFFFAOYSA-L
MW466.86 g/mol
LogP2.69
Rot. Bonds2

About bis(2-tert-butylbenzoate);cadmium(2+)

bis(2-tert-butylbenzoate);cadmium(2+) (PubChem CID 71436894) has the molecular formula C22H26CdO4 and a molecular weight of 466.86 g/mol. Its IUPAC name is bis(2-tert-butylbenzoate);cadmium(2+).

Molecular Properties

Compound Namebis(2-tert-butylbenzoate);cadmium(2+)
PubChem CID71436894
Molecular FormulaC22H26CdO4
Molecular Weight466.86 g/mol
Exact Mass468.09
IUPAC Namebis(2-tert-butylbenzoate);cadmium(2+)
SMILESCC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c1ccccc1C(=O)[O-].[Cd+2]
InChIInChI=1S/2C11H14O2.Cd/c2*1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
InChIKeyOAENBOQRJFURKV-UHFFFAOYSA-L
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylbenzoate);cadmium(2+)?
The IUPAC name of bis(2-tert-butylbenzoate);cadmium(2+) (CID 71436894) is bis(2-tert-butylbenzoate);cadmium(2+).
What is the SMILES notation for bis(2-tert-butylbenzoate);cadmium(2+)?
The canonical SMILES for bis(2-tert-butylbenzoate);cadmium(2+) is CC(C)(C)c1ccccc1C(=O)[O-].CC(C)(C)c1ccccc1C(=O)[O-].[Cd+2].
What is the InChIKey of bis(2-tert-butylbenzoate);cadmium(2+)?
The InChIKey is OAENBOQRJFURKV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H14O2.Cd/c2*1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2.
What are the key properties of bis(2-tert-butylbenzoate);cadmium(2+)?
bis(2-tert-butylbenzoate);cadmium(2+) has a molecular weight of 466.86 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylbenzoate);cadmium(2+) is sourced from PubChem (CID 71436894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).