barium(2+);hexanoic acid;hydride

C6H14BaO2 — CID 173175887

IUPACbarium(2+);hexanoic acid;hydride
SMILESCCCCCC(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C6H12O2.Ba.2H/c1-2-3-4-5-6(7)8;;;/h2-5H2,1H3,(H,7,8);;;/q;+2;2*-1
InChIKeyYUSJGPULLVKDGD-UHFFFAOYSA-N
MW255.50 g/mol
LogP1.50
Rot. Bonds4

About barium(2+);hexanoic acid;hydride

barium(2+);hexanoic acid;hydride (PubChem CID 173175887) has the molecular formula C6H14BaO2 and a molecular weight of 255.50 g/mol. Its IUPAC name is barium(2+);hexanoic acid;hydride.

Molecular Properties

Compound Namebarium(2+);hexanoic acid;hydride
PubChem CID173175887
Molecular FormulaC6H14BaO2
Molecular Weight255.50 g/mol
Exact Mass256.00
IUPAC Namebarium(2+);hexanoic acid;hydride
SMILESCCCCCC(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C6H12O2.Ba.2H/c1-2-3-4-5-6(7)8;;;/h2-5H2,1H3,(H,7,8);;;/q;+2;2*-1
InChIKeyYUSJGPULLVKDGD-UHFFFAOYSA-N
XLogP1.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;barium(2+);hydride;octadecanoic acid
CID 174423684
hexanoic acid;hydride;rubidium(1+)
CID 173400776
barium(2+);octadecanoic acid
CID 23045344
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;bis(octanoic acid)
CID 174951959
sodium;dodecanoic acid;hydride
CID 173060618
calcium;dodecanoic acid;hydride
CID 172998116

Frequently Asked Questions

What is the IUPAC name of barium(2+);hexanoic acid;hydride?
The IUPAC name of barium(2+);hexanoic acid;hydride (CID 173175887) is barium(2+);hexanoic acid;hydride.
What is the SMILES notation for barium(2+);hexanoic acid;hydride?
The canonical SMILES for barium(2+);hexanoic acid;hydride is CCCCCC(=O)O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hexanoic acid;hydride?
The InChIKey is YUSJGPULLVKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.Ba.2H/c1-2-3-4-5-6(7)8;;;/h2-5H2,1H3,(H,7,8);;;/q;+2;2*-1.
What are the key properties of barium(2+);hexanoic acid;hydride?
barium(2+);hexanoic acid;hydride has a molecular weight of 255.50 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hexanoic acid;hydride is sourced from PubChem (CID 173175887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).