barium(2+);bis(2-methoxyacetate)

C6H10BaO6 — CID 88657250

IUPACbarium(2+);bis(2-methoxyacetate)
SMILESCOCC(=O)[O-].COCC(=O)[O-].[Ba+2]
InChIInChI=1S/2C3H6O3.Ba/c2*1-6-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
InChIKeyNGNAYFCJZFELCJ-UHFFFAOYSA-L
MW315.47 g/mol
LogP-3.62
Rot. Bonds4

About barium(2+);bis(2-methoxyacetate)

barium(2+);bis(2-methoxyacetate) (PubChem CID 88657250) has the molecular formula C6H10BaO6 and a molecular weight of 315.47 g/mol. Its IUPAC name is barium(2+);bis(2-methoxyacetate).

Molecular Properties

Compound Namebarium(2+);bis(2-methoxyacetate)
PubChem CID88657250
Molecular FormulaC6H10BaO6
Molecular Weight315.47 g/mol
Exact Mass315.95
IUPAC Namebarium(2+);bis(2-methoxyacetate)
SMILESCOCC(=O)[O-].COCC(=O)[O-].[Ba+2]
InChIInChI=1S/2C3H6O3.Ba/c2*1-6-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
InChIKeyNGNAYFCJZFELCJ-UHFFFAOYSA-L
XLogP-3.62
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 5-3.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl-methyl-propylazanium;2-methoxyacetate
CID 118645672
2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium
CID 122174185
ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate
CID 118645024
2-methoxyacetate;1-methyl-1-prop-2-enylpyrrolidin-1-ium
CID 118645014
magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
2-methanidyloxyacetate;methanolate
CID 90717089
tris(barium(2+)) diacetate
CID 19804496
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
2-methoxyacetic acid;silver
CID 158784523
2-methoxyacetic acid;titanium
CID 174298740
sodium;2-methoxyacetate;1-[2-(5-methoxy-4-oxopentoxy)ethoxy]nonadecan-4-one
CID 161367903

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(2-methoxyacetate)?
The IUPAC name of barium(2+);bis(2-methoxyacetate) (CID 88657250) is barium(2+);bis(2-methoxyacetate).
What is the SMILES notation for barium(2+);bis(2-methoxyacetate)?
The canonical SMILES for barium(2+);bis(2-methoxyacetate) is COCC(=O)[O-].COCC(=O)[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(2-methoxyacetate)?
The InChIKey is NGNAYFCJZFELCJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O3.Ba/c2*1-6-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2.
What are the key properties of barium(2+);bis(2-methoxyacetate)?
barium(2+);bis(2-methoxyacetate) has a molecular weight of 315.47 g/mol, XLogP of -3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2-methoxyacetate) is sourced from PubChem (CID 88657250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).