dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride

C26H58Al2 — CID 21258677

IUPACdihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride
SMILESCCCCCC[Al+]CCCCCC.CCCCCC[Al](CC(C)C)CC(C)C.[H-]
InChIInChI=1S/3C6H13.2C4H9.2Al.H/c3*1-3-5-6-4-2;2*1-4(2)3;;;/h3*1,3-6H2,2H3;2*4H,1H2,2-3H3;;;/q;;;;;;+1;-1
InChIKeyJXZWKRRICFODCY-UHFFFAOYSA-N
MW424.71 g/mol
LogP10.17
Rot. Bonds19

About dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride

dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride (PubChem CID 21258677) has the molecular formula C26H58Al2 and a molecular weight of 424.71 g/mol. Its IUPAC name is dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride.

Molecular Properties

Compound Namedihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride
PubChem CID21258677
Molecular FormulaC26H58Al2
Molecular Weight424.71 g/mol
Exact Mass424.42
IUPAC Namedihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride
SMILESCCCCCC[Al+]CCCCCC.CCCCCC[Al](CC(C)C)CC(C)C.[H-]
InChIInChI=1S/3C6H13.2C4H9.2Al.H/c3*1-3-5-6-4-2;2*1-4(2)3;;;/h3*1,3-6H2,2H3;2*4H,1H2,2-3H3;;;/q;;;;;;+1;-1
InChIKeyJXZWKRRICFODCY-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

lithium butyl-bis(2-methylpropyl)alumane
CID 16714974
8-methylnonyl-bis(2-methylpropyl)alumane
CID 173009634
heptane;trihexylalumane
CID 22011139
diethylalumanylium;tridodecylalumane;chloride
CID 87488123
tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane
CID 174528139
bis(2-methylpropyl)alumanylium;heptane;hydride
CID 173374934
dipropylalumanylium;hexane;hydride
CID 175456886
triethylalumane;trioctylalumane
CID 158774524
chloro-bis(2-methylpropyl)alumane;hexane
CID 174808933
2-methylnonane;heptahydrofluoride
CID 160801749
8-[8-dimethylsilyloctyl(9-methyldecyl)alumanyl]octyl-dimethylsilane;hexyl(dimethyl)silane;methanol
CID 158409046
tris(7-methyloctyl)alumane
CID 156702571

Frequently Asked Questions

What is the IUPAC name of dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride?
The IUPAC name of dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride (CID 21258677) is dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride.
What is the SMILES notation for dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride?
The canonical SMILES for dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride is CCCCCC[Al+]CCCCCC.CCCCCC[Al](CC(C)C)CC(C)C.[H-].
What is the InChIKey of dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride?
The InChIKey is JXZWKRRICFODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13.2C4H9.2Al.H/c3*1-3-5-6-4-2;2*1-4(2)3;;;/h3*1,3-6H2,2H3;2*4H,1H2,2-3H3;;;/q;;;;;;+1;-1.
What are the key properties of dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride?
dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride has a molecular weight of 424.71 g/mol, XLogP of 10.17, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride is sourced from PubChem (CID 21258677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).