bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate

C12H21O6Tl — CID 16694345

IUPACbis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate
SMILESCC(C)C(=O)O[Tl](OC(=O)C(C)C)OC(=O)C(C)C
InChIInChI=1S/3C4H8O2.Tl/c3*1-3(2)4(5)6;/h3*3H,1-2H3,(H,5,6);/q;;;+3/p-3
InChIKeyMGZJXDYNYANKNL-UHFFFAOYSA-K
MW465.68 g/mol
LogP1.57
Rot. Bonds6

About bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate

bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate (PubChem CID 16694345) has the molecular formula C12H21O6Tl and a molecular weight of 465.68 g/mol. Its IUPAC name is bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate.

Molecular Properties

Compound Namebis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate
PubChem CID16694345
Molecular FormulaC12H21O6Tl
Molecular Weight465.68 g/mol
Exact Mass466.11
IUPAC Namebis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate
SMILESCC(C)C(=O)O[Tl](OC(=O)C(C)C)OC(=O)C(C)C
InChIInChI=1S/3C4H8O2.Tl/c3*1-3(2)4(5)6;/h3*3H,1-2H3,(H,5,6);/q;;;+3/p-3
InChIKeyMGZJXDYNYANKNL-UHFFFAOYSA-K
XLogP1.57
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.68
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate?
The IUPAC name of bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate (CID 16694345) is bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate.
What is the SMILES notation for bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate?
The canonical SMILES for bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate is CC(C)C(=O)O[Tl](OC(=O)C(C)C)OC(=O)C(C)C.
What is the InChIKey of bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate?
The InChIKey is MGZJXDYNYANKNL-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H8O2.Tl/c3*1-3(2)4(5)6;/h3*3H,1-2H3,(H,5,6);/q;;;+3/p-3.
What are the key properties of bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate?
bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate has a molecular weight of 465.68 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropanoyloxy)thallanyl 2-methylpropanoate is sourced from PubChem (CID 16694345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).