barium(2+);butan-1-ol;oxygen(2-)

C4H10BaO2 — CID 88812072

IUPACbarium(2+);butan-1-ol;oxygen(2-)
SMILESCCCCO.[Ba+2].[O-2]
InChIInChI=1S/C4H10O.Ba.O/c1-2-3-4-5;;/h5H,2-4H2,1H3;;/q;+2;-2
InChIKeyHKPGMQBCNKNYSA-UHFFFAOYSA-N
MW227.45 g/mol
LogP0.28
Rot. Bonds2

About barium(2+);butan-1-ol;oxygen(2-)

barium(2+);butan-1-ol;oxygen(2-) (PubChem CID 88812072) has the molecular formula C4H10BaO2 and a molecular weight of 227.45 g/mol. Its IUPAC name is barium(2+);butan-1-ol;oxygen(2-).

Molecular Properties

Compound Namebarium(2+);butan-1-ol;oxygen(2-)
PubChem CID88812072
Molecular FormulaC4H10BaO2
Molecular Weight227.45 g/mol
Exact Mass227.97
IUPAC Namebarium(2+);butan-1-ol;oxygen(2-)
SMILESCCCCO.[Ba+2].[O-2]
InChIInChI=1S/C4H10O.Ba.O/c1-2-3-4-5;;/h5H,2-4H2,1H3;;/q;+2;-2
InChIKeyHKPGMQBCNKNYSA-UHFFFAOYSA-N
XLogP0.28
TPSA48.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.45
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
barium(2+);butan-1-ol;hydride;titanium
CID 174712606
pentakis(butan-1-ol);vanadium
CID 14228635
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841

Frequently Asked Questions

What is the IUPAC name of barium(2+);butan-1-ol;oxygen(2-)?
The IUPAC name of barium(2+);butan-1-ol;oxygen(2-) (CID 88812072) is barium(2+);butan-1-ol;oxygen(2-).
What is the SMILES notation for barium(2+);butan-1-ol;oxygen(2-)?
The canonical SMILES for barium(2+);butan-1-ol;oxygen(2-) is CCCCO.[Ba+2].[O-2].
What is the InChIKey of barium(2+);butan-1-ol;oxygen(2-)?
The InChIKey is HKPGMQBCNKNYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Ba.O/c1-2-3-4-5;;/h5H,2-4H2,1H3;;/q;+2;-2.
What are the key properties of barium(2+);butan-1-ol;oxygen(2-)?
barium(2+);butan-1-ol;oxygen(2-) has a molecular weight of 227.45 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);butan-1-ol;oxygen(2-) is sourced from PubChem (CID 88812072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).