dimethylthallanyl acetate

C4H9O2Tl — CID 16692919

IUPACdimethylthallanyl acetate
SMILESCC(=O)O[Tl](C)C
InChIInChI=1S/C2H4O2.2CH3.Tl/c1-2(3)4;;;/h1H3,(H,3,4);2*1H3;/q;;;+1/p-1
InChIKeyRZCWRPWJWMDIIY-UHFFFAOYSA-M
MW293.50 g/mol
LogP0.80
Rot. Bonds1

About dimethylthallanyl acetate

dimethylthallanyl acetate (PubChem CID 16692919) has the molecular formula C4H9O2Tl and a molecular weight of 293.50 g/mol. Its IUPAC name is dimethylthallanyl acetate.

Molecular Properties

Compound Namedimethylthallanyl acetate
PubChem CID16692919
Molecular FormulaC4H9O2Tl
Molecular Weight293.50 g/mol
Exact Mass294.03
IUPAC Namedimethylthallanyl acetate
SMILESCC(=O)O[Tl](C)C
InChIInChI=1S/C2H4O2.2CH3.Tl/c1-2(3)4;;;/h1H3,(H,3,4);2*1H3;/q;;;+1/p-1
InChIKeyRZCWRPWJWMDIIY-UHFFFAOYSA-M
XLogP0.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethylthallanyl acetate?
The IUPAC name of dimethylthallanyl acetate (CID 16692919) is dimethylthallanyl acetate.
What is the SMILES notation for dimethylthallanyl acetate?
The canonical SMILES for dimethylthallanyl acetate is CC(=O)O[Tl](C)C.
What is the InChIKey of dimethylthallanyl acetate?
The InChIKey is RZCWRPWJWMDIIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.2CH3.Tl/c1-2(3)4;;;/h1H3,(H,3,4);2*1H3;/q;;;+1/p-1.
What are the key properties of dimethylthallanyl acetate?
dimethylthallanyl acetate has a molecular weight of 293.50 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylthallanyl acetate is sourced from PubChem (CID 16692919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).