dioctylalumane;hexylalumane

C22H50Al2 — CID 175046144

IUPACdioctylalumane;hexylalumane
SMILESCCCCCCCC[AlH]CCCCCCCC.CCCCCC[AlH2]
InChIInChI=1S/2C8H17.C6H13.2Al.3H/c2*1-3-5-7-8-6-4-2;1-3-5-6-4-2;;;;;/h2*1,3-8H2,2H3;1,3-6H2,2H3;;;;;
InChIKeyAIRQMUDURVJDHR-UHFFFAOYSA-N
MW368.61 g/mol
LogP7.60
Rot. Bonds18

About dioctylalumane;hexylalumane

dioctylalumane;hexylalumane (PubChem CID 175046144) has the molecular formula C22H50Al2 and a molecular weight of 368.61 g/mol. Its IUPAC name is dioctylalumane;hexylalumane.

Molecular Properties

Compound Namedioctylalumane;hexylalumane
PubChem CID175046144
Molecular FormulaC22H50Al2
Molecular Weight368.61 g/mol
Exact Mass368.35
IUPAC Namedioctylalumane;hexylalumane
SMILESCCCCCCCC[AlH]CCCCCCCC.CCCCCC[AlH2]
InChIInChI=1S/2C8H17.C6H13.2Al.3H/c2*1-3-5-7-8-6-4-2;1-3-5-6-4-2;;;;;/h2*1,3-8H2,2H3;1,3-6H2,2H3;;;;;
InChIKeyAIRQMUDURVJDHR-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 57.60
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

dihexylalumane;hydrochloride
CID 175022158
dodecylalumane;dihydrochloride
CID 174558793
dodecylalumane;dihydrobromide
CID 174323445
ethyl(hexyl)alumane
CID 154349327
dihexylalumane;N-octyloctan-1-amine
CID 173450934
calcium;hydride;octane
CID 173403164
tert-butyl(oxo)silane;octylalumane
CID 175223496
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of dioctylalumane;hexylalumane?
The IUPAC name of dioctylalumane;hexylalumane (CID 175046144) is dioctylalumane;hexylalumane.
What is the SMILES notation for dioctylalumane;hexylalumane?
The canonical SMILES for dioctylalumane;hexylalumane is CCCCCCCC[AlH]CCCCCCCC.CCCCCC[AlH2].
What is the InChIKey of dioctylalumane;hexylalumane?
The InChIKey is AIRQMUDURVJDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.C6H13.2Al.3H/c2*1-3-5-7-8-6-4-2;1-3-5-6-4-2;;;;;/h2*1,3-8H2,2H3;1,3-6H2,2H3;;;;;.
What are the key properties of dioctylalumane;hexylalumane?
dioctylalumane;hexylalumane has a molecular weight of 368.61 g/mol, XLogP of 7.60, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dioctylalumane;hexylalumane is sourced from PubChem (CID 175046144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).