barium(2+);2-ethylhexanoic acid;hydride

C8H18BaO2 — CID 172997422

IUPACbarium(2+);2-ethylhexanoic acid;hydride
SMILESCCCCC(CC)C(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H16O2.Ba.2H/c1-3-5-6-7(4-2)8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;;/q;+2;2*-1
InChIKeyHGJQAMMRNVXKFY-UHFFFAOYSA-N
MW283.56 g/mol
LogP2.13
Rot. Bonds5

About barium(2+);2-ethylhexanoic acid;hydride

barium(2+);2-ethylhexanoic acid;hydride (PubChem CID 172997422) has the molecular formula C8H18BaO2 and a molecular weight of 283.56 g/mol. Its IUPAC name is barium(2+);2-ethylhexanoic acid;hydride.

Molecular Properties

Compound Namebarium(2+);2-ethylhexanoic acid;hydride
PubChem CID172997422
Molecular FormulaC8H18BaO2
Molecular Weight283.56 g/mol
Exact Mass284.04
IUPAC Namebarium(2+);2-ethylhexanoic acid;hydride
SMILESCCCCC(CC)C(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C8H16O2.Ba.2H/c1-3-5-6-7(4-2)8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;;/q;+2;2*-1
InChIKeyHGJQAMMRNVXKFY-UHFFFAOYSA-N
XLogP2.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
2-ethylhexanoic acid;hexadecane
CID 174408772
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
CID 173133127
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727
boric acid;2-ethylhexanoic acid;niobium
CID 163361263

Frequently Asked Questions

What is the IUPAC name of barium(2+);2-ethylhexanoic acid;hydride?
The IUPAC name of barium(2+);2-ethylhexanoic acid;hydride (CID 172997422) is barium(2+);2-ethylhexanoic acid;hydride.
What is the SMILES notation for barium(2+);2-ethylhexanoic acid;hydride?
The canonical SMILES for barium(2+);2-ethylhexanoic acid;hydride is CCCCC(CC)C(=O)O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);2-ethylhexanoic acid;hydride?
The InChIKey is HGJQAMMRNVXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Ba.2H/c1-3-5-6-7(4-2)8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;;/q;+2;2*-1.
What are the key properties of barium(2+);2-ethylhexanoic acid;hydride?
barium(2+);2-ethylhexanoic acid;hydride has a molecular weight of 283.56 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);2-ethylhexanoic acid;hydride is sourced from PubChem (CID 172997422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).