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

C12H26BaO4 — CID 19598526

IUPACbarium(2+);bis(2-butoxyethanolate)
SMILESCCCCOCC[O-].CCCCOCC[O-].[Ba+2]
InChIInChI=1S/2C6H13O2.Ba/c2*1-2-3-5-8-6-4-7;/h2*2-6H2,1H3;/q2*-1;+2
InChIKeySYLKUNOIMBJPOL-UHFFFAOYSA-N
MW371.66 g/mol
LogP-0.05
Rot. Bonds10

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

barium(2+);bis(2-butoxyethanolate) (PubChem CID 19598526) has the molecular formula C12H26BaO4 and a molecular weight of 371.66 g/mol. Its IUPAC name is barium(2+);bis(2-butoxyethanolate).

Molecular Properties

Compound Namebarium(2+);bis(2-butoxyethanolate)
PubChem CID19598526
Molecular FormulaC12H26BaO4
Molecular Weight371.66 g/mol
Exact Mass372.09
IUPAC Namebarium(2+);bis(2-butoxyethanolate)
SMILESCCCCOCC[O-].CCCCOCC[O-].[Ba+2]
InChIInChI=1S/2C6H13O2.Ba/c2*1-2-3-5-8-6-4-7;/h2*2-6H2,1H3;/q2*-1;+2
InChIKeySYLKUNOIMBJPOL-UHFFFAOYSA-N
XLogP-0.05
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
ethane;1-(2-propoxyethoxy)butane
CID 164535746
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
1-butoxypentane;niobium
CID 175363169
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxybutane;N-methylmethanamine
CID 88830911
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(2-butoxyethanolate)?
The IUPAC name of barium(2+);bis(2-butoxyethanolate) (CID 19598526) is barium(2+);bis(2-butoxyethanolate).
What is the SMILES notation for barium(2+);bis(2-butoxyethanolate)?
The canonical SMILES for barium(2+);bis(2-butoxyethanolate) is CCCCOCC[O-].CCCCOCC[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(2-butoxyethanolate)?
The InChIKey is SYLKUNOIMBJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13O2.Ba/c2*1-2-3-5-8-6-4-7;/h2*2-6H2,1H3;/q2*-1;+2.
What are the key properties of barium(2+);bis(2-butoxyethanolate)?
barium(2+);bis(2-butoxyethanolate) has a molecular weight of 371.66 g/mol, XLogP of -0.05, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2-butoxyethanolate) is sourced from PubChem (CID 19598526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).