tris(2-methylpropanoate);thallium(3+)

C12H21O6Tl — CID 173444614

IUPACtris(2-methylpropanoate);thallium(3+)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Tl+3]
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
LogP-2.20
Rot. Bonds3

About tris(2-methylpropanoate);thallium(3+)

tris(2-methylpropanoate);thallium(3+) (PubChem CID 173444614) has the molecular formula C12H21O6Tl and a molecular weight of 465.68 g/mol. Its IUPAC name is tris(2-methylpropanoate);thallium(3+).

Molecular Properties

Compound Nametris(2-methylpropanoate);thallium(3+)
PubChem CID173444614
Molecular FormulaC12H21O6Tl
Molecular Weight465.68 g/mol
Exact Mass466.11
IUPAC Nametris(2-methylpropanoate);thallium(3+)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Tl+3]
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
XLogP-2.20
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.68
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

calcium bis(2-methylpropanoate)
CID 102602609
barium(2+);bis(2-methylpropanoate)
CID 23219604
dilithium bis(2-methylpropanoate)
CID 86626069
dioxozirconium;pentakis(2-methylpropanoate);2-methylpropanoic acid;hydrate
CID 162280682
ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
CID 174680586
lithium;sodium;2-methylpropanoate;propanoate
CID 22366595
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
strontium bis(2-hydroxypropanoate)
CID 91886528
diazanium;2,3-dimethylbutanedioate
CID 162318469
(2R)-2-sulfanylpropanoate
CID 7057984

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropanoate);thallium(3+)?
The IUPAC name of tris(2-methylpropanoate);thallium(3+) (CID 173444614) is tris(2-methylpropanoate);thallium(3+).
What is the SMILES notation for tris(2-methylpropanoate);thallium(3+)?
The canonical SMILES for tris(2-methylpropanoate);thallium(3+) is CC(C)C(=O)[O-].CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Tl+3].
What is the InChIKey of tris(2-methylpropanoate);thallium(3+)?
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 tris(2-methylpropanoate);thallium(3+)?
tris(2-methylpropanoate);thallium(3+) has a molecular weight of 465.68 g/mol, XLogP of -2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropanoate);thallium(3+) is sourced from PubChem (CID 173444614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).