diethyl-[(2-methylpropan-2-yl)oxy]thallane

C8H19OTl — CID 16692550

IUPACdiethyl-[(2-methylpropan-2-yl)oxy]thallane
SMILESCC[Tl](CC)OC(C)(C)C
InChIInChI=1S/C4H9O.2C2H5.Tl/c1-4(2,3)5;2*1-2;/h1-3H3;2*1H2,2H3;/q-1;;;+1
InChIKeyDYLLKJDFDUXIKZ-UHFFFAOYSA-N
MW335.62 g/mol
LogP2.83
Rot. Bonds3

About diethyl-[(2-methylpropan-2-yl)oxy]thallane

diethyl-[(2-methylpropan-2-yl)oxy]thallane (PubChem CID 16692550) has the molecular formula C8H19OTl and a molecular weight of 335.62 g/mol. Its IUPAC name is diethyl-[(2-methylpropan-2-yl)oxy]thallane.

Molecular Properties

Compound Namediethyl-[(2-methylpropan-2-yl)oxy]thallane
PubChem CID16692550
Molecular FormulaC8H19OTl
Molecular Weight335.62 g/mol
Exact Mass336.12
IUPAC Namediethyl-[(2-methylpropan-2-yl)oxy]thallane
SMILESCC[Tl](CC)OC(C)(C)C
InChIInChI=1S/C4H9O.2C2H5.Tl/c1-4(2,3)5;2*1-2;/h1-3H3;2*1H2,2H3;/q-1;;;+1
InChIKeyDYLLKJDFDUXIKZ-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(2-methylpropan-2-yl)oxy]thallane?
The IUPAC name of diethyl-[(2-methylpropan-2-yl)oxy]thallane (CID 16692550) is diethyl-[(2-methylpropan-2-yl)oxy]thallane.
What is the SMILES notation for diethyl-[(2-methylpropan-2-yl)oxy]thallane?
The canonical SMILES for diethyl-[(2-methylpropan-2-yl)oxy]thallane is CC[Tl](CC)OC(C)(C)C.
What is the InChIKey of diethyl-[(2-methylpropan-2-yl)oxy]thallane?
The InChIKey is DYLLKJDFDUXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C2H5.Tl/c1-4(2,3)5;2*1-2;/h1-3H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethyl-[(2-methylpropan-2-yl)oxy]thallane?
diethyl-[(2-methylpropan-2-yl)oxy]thallane has a molecular weight of 335.62 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(2-methylpropan-2-yl)oxy]thallane is sourced from PubChem (CID 16692550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).