barium(2+);bis(pentanoate)

C10H18BaO4 — CID 14619942

IUPACbarium(2+);bis(pentanoate)
SMILESCCCCC(=O)[O-].CCCCC(=O)[O-].[Ba+2]
InChIInChI=1S/2C5H10O2.Ba/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2
InChIKeyOZOJSEUUJMZMCQ-UHFFFAOYSA-L
MW339.58 g/mol
LogP-0.53
Rot. Bonds6

About barium(2+);bis(pentanoate)

barium(2+);bis(pentanoate) (PubChem CID 14619942) has the molecular formula C10H18BaO4 and a molecular weight of 339.58 g/mol. Its IUPAC name is barium(2+);bis(pentanoate).

Molecular Properties

Compound Namebarium(2+);bis(pentanoate)
PubChem CID14619942
Molecular FormulaC10H18BaO4
Molecular Weight339.58 g/mol
Exact Mass340.03
IUPAC Namebarium(2+);bis(pentanoate)
SMILESCCCCC(=O)[O-].CCCCC(=O)[O-].[Ba+2]
InChIInChI=1S/2C5H10O2.Ba/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2
InChIKeyOZOJSEUUJMZMCQ-UHFFFAOYSA-L
XLogP-0.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azanium tris(pentanoate)
CID 21124108
tris(pentanoate);rhodium(3+)
CID 51036063
iodanium pentanoate
CID 87769963
gold(3+);tris(pentanoate)
CID 157094863
gallium tris(pentanoate)
CID 173230335
methylazanium;pentanoate
CID 87904000
barium(2+);bis(icosanoate)
CID 6451429
copper;barium(2+);hexakis(hexanoate);nickel(2+)
CID 173440852
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(pentanoate)?
The IUPAC name of barium(2+);bis(pentanoate) (CID 14619942) is barium(2+);bis(pentanoate).
What is the SMILES notation for barium(2+);bis(pentanoate)?
The canonical SMILES for barium(2+);bis(pentanoate) is CCCCC(=O)[O-].CCCCC(=O)[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(pentanoate)?
The InChIKey is OZOJSEUUJMZMCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.Ba/c2*1-2-3-4-5(6)7;/h2*2-4H2,1H3,(H,6,7);/q;;+2/p-2.
What are the key properties of barium(2+);bis(pentanoate)?
barium(2+);bis(pentanoate) has a molecular weight of 339.58 g/mol, XLogP of -0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(pentanoate) is sourced from PubChem (CID 14619942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).