barium(2+);hydride;2,2,6,6-tetramethylheptane

C11H26Ba — CID 173027218

IUPACbarium(2+);hydride;2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.[Ba+2].[H-].[H-]
InChIInChI=1S/C11H24.Ba.2H/c1-10(2,3)8-7-9-11(4,5)6;;;/h7-9H2,1-6H3;;;/q;+2;2*-1
InChIKeyNQZQTSVAKGVSCR-UHFFFAOYSA-N
MW295.66 g/mol
LogP4.09
Rot. Bonds2

About barium(2+);hydride;2,2,6,6-tetramethylheptane

barium(2+);hydride;2,2,6,6-tetramethylheptane (PubChem CID 173027218) has the molecular formula C11H26Ba and a molecular weight of 295.66 g/mol. Its IUPAC name is barium(2+);hydride;2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Namebarium(2+);hydride;2,2,6,6-tetramethylheptane
PubChem CID173027218
Molecular FormulaC11H26Ba
Molecular Weight295.66 g/mol
Exact Mass296.11
IUPAC Namebarium(2+);hydride;2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.[Ba+2].[H-].[H-]
InChIInChI=1S/C11H24.Ba.2H/c1-10(2,3)8-7-9-11(4,5)6;;;/h7-9H2,1-6H3;;;/q;+2;2*-1
InChIKeyNQZQTSVAKGVSCR-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
ethane;2,2,6,6-tetramethylheptane;tritium monohydride
CID 158881033
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
4,4-dimethylpentan-1-amine
CID 14454757
2,2-dimethylhexane
CID 169424592
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
CID 141028756
azane;2,2-dimethylhexane
CID 161105081
1-chloro-4,4-dimethylpentane
CID 524245
N-tert-butyl-3,3,7,7-tetramethyloctan-1-amine
CID 134314254
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
potassium 4,4-dimethylpentan-1-olate
CID 175567265
4,4-dimethylpentan-1-ol;tungsten
CID 140674577

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;2,2,6,6-tetramethylheptane?
The IUPAC name of barium(2+);hydride;2,2,6,6-tetramethylheptane (CID 173027218) is barium(2+);hydride;2,2,6,6-tetramethylheptane.
What is the SMILES notation for barium(2+);hydride;2,2,6,6-tetramethylheptane?
The canonical SMILES for barium(2+);hydride;2,2,6,6-tetramethylheptane is CC(C)(C)CCCC(C)(C)C.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;2,2,6,6-tetramethylheptane?
The InChIKey is NQZQTSVAKGVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.Ba.2H/c1-10(2,3)8-7-9-11(4,5)6;;;/h7-9H2,1-6H3;;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;2,2,6,6-tetramethylheptane?
barium(2+);hydride;2,2,6,6-tetramethylheptane has a molecular weight of 295.66 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;2,2,6,6-tetramethylheptane is sourced from PubChem (CID 173027218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).