acetyloxythallium

C8H12O8Tl4 — CID 141129894

IUPACacetyloxythallium
SMILESCC(=O)O[Tl].CC(=O)O[Tl].CC(=O)O[Tl].CC(=O)O[Tl]
InChIInChI=1S/4C2H4O2.4Tl/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;;/q;;;;4*+1/p-4
InChIKeyUBDHUMCXSINFSZ-UHFFFAOYSA-J
MW1053.71 g/mol
LogP-1.47
Rot. Bonds

About acetyloxythallium

acetyloxythallium (PubChem CID 141129894) has the molecular formula C8H12O8Tl4 and a molecular weight of 1053.71 g/mol. Its IUPAC name is acetyloxythallium.

Molecular Properties

Compound Nameacetyloxythallium
PubChem CID141129894
Molecular FormulaC8H12O8Tl4
Molecular Weight1053.71 g/mol
Exact Mass1055.95
IUPAC Nameacetyloxythallium
SMILESCC(=O)O[Tl].CC(=O)O[Tl].CC(=O)O[Tl].CC(=O)O[Tl]
InChIInChI=1S/4C2H4O2.4Tl/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;;/q;;;;4*+1/p-4
InChIKeyUBDHUMCXSINFSZ-UHFFFAOYSA-J
XLogP-1.47
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001053.71
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

azane;sulfanyl acetate
CID 174466207
(2-λ1-thallanyloxy-2-oxoacetyl)oxythallium
CID 16706493
methyl acetate;ruthenium
CID 160799101
acetic acid;ruthenium
CID 175502908
CID 87069860
CID 87069860
ethaneperoxoic acid;yttrium
CID 88646363
CID 59957400
CID 59957400
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
acetyl acetate;chromium(2+)
CID 19978523
copper;methyl acetate
CID 174340034
acetyl acetate;hydrochloride
CID 87138027

Frequently Asked Questions

What is the IUPAC name of acetyloxythallium?
The IUPAC name of acetyloxythallium (CID 141129894) is acetyloxythallium.
What is the SMILES notation for acetyloxythallium?
The canonical SMILES for acetyloxythallium is CC(=O)O[Tl].CC(=O)O[Tl].CC(=O)O[Tl].CC(=O)O[Tl].
What is the InChIKey of acetyloxythallium?
The InChIKey is UBDHUMCXSINFSZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H4O2.4Tl/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;;/q;;;;4*+1/p-4.
What are the key properties of acetyloxythallium?
acetyloxythallium has a molecular weight of 1053.71 g/mol, XLogP of -1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxythallium is sourced from PubChem (CID 141129894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).