barium(2+);butan-1-ol;hydride;titanium

C4H12BaOTi — CID 174712606

IUPACbarium(2+);butan-1-ol;hydride;titanium
SMILESCCCCO.[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/C4H10O.Ba.Ti.2H/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;;;;/q;+2;;2*-1
InChIKeyWOZAOFGXAQSLTJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.62
Rot. Bonds2

About barium(2+);butan-1-ol;hydride;titanium

barium(2+);butan-1-ol;hydride;titanium (PubChem CID 174712606) has the molecular formula C4H12BaOTi and a molecular weight of 261.33 g/mol. Its IUPAC name is barium(2+);butan-1-ol;hydride;titanium.

Molecular Properties

Compound Namebarium(2+);butan-1-ol;hydride;titanium
PubChem CID174712606
Molecular FormulaC4H12BaOTi
Molecular Weight261.33 g/mol
Exact Mass261.94
IUPAC Namebarium(2+);butan-1-ol;hydride;titanium
SMILESCCCCO.[Ba+2].[H-].[H-].[Ti]
InChIInChI=1S/C4H10O.Ba.Ti.2H/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;;;;/q;+2;;2*-1
InChIKeyWOZAOFGXAQSLTJ-UHFFFAOYSA-N
XLogP0.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);butan-1-ol;hydride;titanium?
The IUPAC name of barium(2+);butan-1-ol;hydride;titanium (CID 174712606) is barium(2+);butan-1-ol;hydride;titanium.
What is the SMILES notation for barium(2+);butan-1-ol;hydride;titanium?
The canonical SMILES for barium(2+);butan-1-ol;hydride;titanium is CCCCO.[Ba+2].[H-].[H-].[Ti].
What is the InChIKey of barium(2+);butan-1-ol;hydride;titanium?
The InChIKey is WOZAOFGXAQSLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Ba.Ti.2H/c1-2-3-4-5;;;;/h5H,2-4H2,1H3;;;;/q;+2;;2*-1.
What are the key properties of barium(2+);butan-1-ol;hydride;titanium?
barium(2+);butan-1-ol;hydride;titanium has a molecular weight of 261.33 g/mol, XLogP of 0.62, 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;hydride;titanium is sourced from PubChem (CID 174712606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).