barium(2+);butan-2-ol;hydride;hydrate

C4H14BaO2 — CID 174746471

IUPACbarium(2+);butan-2-ol;hydride;hydrate
SMILESCCC(C)O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/C4H10O.Ba.H2O.2H/c1-3-4(2)5;;;;/h4-5H,3H2,1-2H3;;1H2;;/q;+2;;2*-1
InChIKeyIYIJWOVMWMZMQI-UHFFFAOYSA-N
MW231.48 g/mol
LogP-0.20
Rot. Bonds1

About barium(2+);butan-2-ol;hydride;hydrate

barium(2+);butan-2-ol;hydride;hydrate (PubChem CID 174746471) has the molecular formula C4H14BaO2 and a molecular weight of 231.48 g/mol. Its IUPAC name is barium(2+);butan-2-ol;hydride;hydrate.

Molecular Properties

Compound Namebarium(2+);butan-2-ol;hydride;hydrate
PubChem CID174746471
Molecular FormulaC4H14BaO2
Molecular Weight231.48 g/mol
Exact Mass232.00
IUPAC Namebarium(2+);butan-2-ol;hydride;hydrate
SMILESCCC(C)O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/C4H10O.Ba.H2O.2H/c1-3-4(2)5;;;;/h4-5H,3H2,1-2H3;;1H2;;/q;+2;;2*-1
InChIKeyIYIJWOVMWMZMQI-UHFFFAOYSA-N
XLogP-0.20
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of barium(2+);butan-2-ol;hydride;hydrate?
The IUPAC name of barium(2+);butan-2-ol;hydride;hydrate (CID 174746471) is barium(2+);butan-2-ol;hydride;hydrate.
What is the SMILES notation for barium(2+);butan-2-ol;hydride;hydrate?
The canonical SMILES for barium(2+);butan-2-ol;hydride;hydrate is CCC(C)O.O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);butan-2-ol;hydride;hydrate?
The InChIKey is IYIJWOVMWMZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Ba.H2O.2H/c1-3-4(2)5;;;;/h4-5H,3H2,1-2H3;;1H2;;/q;+2;;2*-1.
What are the key properties of barium(2+);butan-2-ol;hydride;hydrate?
barium(2+);butan-2-ol;hydride;hydrate has a molecular weight of 231.48 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);butan-2-ol;hydride;hydrate is sourced from PubChem (CID 174746471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).