barium(2+);butane;hydride

C4H12Ba — CID 173257350

IUPACbarium(2+);butane;hydride
SMILESCCCC.[Ba+2].[H-].[H-]
InChIInChI=1S/C4H10.Ba.2H/c1-3-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyNTSJPCMVALPJND-UHFFFAOYSA-N
MW197.47 g/mol
LogP1.65
Rot. Bonds1

About barium(2+);butane;hydride

barium(2+);butane;hydride (PubChem CID 173257350) has the molecular formula C4H12Ba and a molecular weight of 197.47 g/mol. Its IUPAC name is barium(2+);butane;hydride.

Molecular Properties

Compound Namebarium(2+);butane;hydride
PubChem CID173257350
Molecular FormulaC4H12Ba
Molecular Weight197.47 g/mol
Exact Mass198.00
IUPAC Namebarium(2+);butane;hydride
SMILESCCCC.[Ba+2].[H-].[H-]
InChIInChI=1S/C4H10.Ba.2H/c1-3-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyNTSJPCMVALPJND-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

sodium;butane;hydride
CID 160814139
potassium;butane;hydride;platinum
CID 173395861
azane;butane
CID 18518846
butane;methane
CID 169432073
butane;octahydrofluoride
CID 173254735
butane;dihydroiodide
CID 173299742
butane;dihydrochloride
CID 175321374
butane;neodymium
CID 173047512
butane;manganese
CID 173124338
butane;lanthanum
CID 174455562
butane;sulfane
CID 162203569
butane;methane
CID 158764755

Frequently Asked Questions

What is the IUPAC name of barium(2+);butane;hydride?
The IUPAC name of barium(2+);butane;hydride (CID 173257350) is barium(2+);butane;hydride.
What is the SMILES notation for barium(2+);butane;hydride?
The canonical SMILES for barium(2+);butane;hydride is CCCC.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);butane;hydride?
The InChIKey is NTSJPCMVALPJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.Ba.2H/c1-3-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of barium(2+);butane;hydride?
barium(2+);butane;hydride has a molecular weight of 197.47 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);butane;hydride is sourced from PubChem (CID 173257350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).