barium(2+);bis(2,2-dimethylpropanoate)

C10H18BaO4 — CID 15120173

IUPACbarium(2+);bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Ba+2]
InChIInChI=1S/2C5H10O2.Ba/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKeyCWZBEUWFFQDTRM-UHFFFAOYSA-L
MW339.58 g/mol
LogP-0.82
Rot. Bonds

About barium(2+);bis(2,2-dimethylpropanoate)

barium(2+);bis(2,2-dimethylpropanoate) (PubChem CID 15120173) has the molecular formula C10H18BaO4 and a molecular weight of 339.58 g/mol. Its IUPAC name is barium(2+);bis(2,2-dimethylpropanoate).

Molecular Properties

Compound Namebarium(2+);bis(2,2-dimethylpropanoate)
PubChem CID15120173
Molecular FormulaC10H18BaO4
Molecular Weight339.58 g/mol
Exact Mass340.03
IUPAC Namebarium(2+);bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Ba+2]
InChIInChI=1S/2C5H10O2.Ba/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2
InChIKeyCWZBEUWFFQDTRM-UHFFFAOYSA-L
XLogP-0.82
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

iodanium 2,2-dimethylpropanoate
CID 172810367
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tris(2,2-dimethylpropanoate);methyltin(3+)
CID 160806145
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121
CID 170847809
CID 170847809
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CID 23206789
copper 2,2-dimethylpropanedioate
CID 88802618
dialuminum;tris(2,2-dimethylpropanedioate)
CID 160958498
dipotassium;2,2-dimethylpropanedioate
CID 87067111
cyclopenta-1,3-diene;tris(2,2-dimethylpropanoate);zirconium(4+)
CID 159648131
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Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(2,2-dimethylpropanoate)?
The IUPAC name of barium(2+);bis(2,2-dimethylpropanoate) (CID 15120173) is barium(2+);bis(2,2-dimethylpropanoate).
What is the SMILES notation for barium(2+);bis(2,2-dimethylpropanoate)?
The canonical SMILES for barium(2+);bis(2,2-dimethylpropanoate) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(2,2-dimethylpropanoate)?
The InChIKey is CWZBEUWFFQDTRM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.Ba/c2*1-5(2,3)4(6)7;/h2*1-3H3,(H,6,7);/q;;+2/p-2.
What are the key properties of barium(2+);bis(2,2-dimethylpropanoate)?
barium(2+);bis(2,2-dimethylpropanoate) has a molecular weight of 339.58 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2,2-dimethylpropanoate) is sourced from PubChem (CID 15120173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).