tetra(nonyl)alumanuide

C36H76Al- — CID 16706879

IUPACtetra(nonyl)alumanuide
SMILESCCCCCCCCC[Al-](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/4C9H19.Al/c4*1-3-5-7-9-8-6-4-2;/h4*1,3-9H2,2H3;/q;;;;-1
InChIKeyUVPVOJWKNPUMDE-UHFFFAOYSA-N
MW535.99 g/mol
LogP14.44
Rot. Bonds32

About tetra(nonyl)alumanuide

tetra(nonyl)alumanuide (PubChem CID 16706879) has the molecular formula C36H76Al- and a molecular weight of 535.99 g/mol. Its IUPAC name is tetra(nonyl)alumanuide.

Molecular Properties

Compound Nametetra(nonyl)alumanuide
PubChem CID16706879
Molecular FormulaC36H76Al-
Molecular Weight535.99 g/mol
Exact Mass535.58
IUPAC Nametetra(nonyl)alumanuide
SMILESCCCCCCCCC[Al-](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/4C9H19.Al/c4*1-3-5-7-9-8-6-4-2;/h4*1,3-9H2,2H3;/q;;;;-1
InChIKeyUVPVOJWKNPUMDE-UHFFFAOYSA-N
XLogP14.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.99
LogP ≤ 514.44
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

tetrahexylalumanuide
CID 16687628
trihexyl(octyl)alumanuide
CID 19693696
lithium tetrabutylalumanuide
CID 16693939
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of tetra(nonyl)alumanuide?
The IUPAC name of tetra(nonyl)alumanuide (CID 16706879) is tetra(nonyl)alumanuide.
What is the SMILES notation for tetra(nonyl)alumanuide?
The canonical SMILES for tetra(nonyl)alumanuide is CCCCCCCCC[Al-](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of tetra(nonyl)alumanuide?
The InChIKey is UVPVOJWKNPUMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H19.Al/c4*1-3-5-7-9-8-6-4-2;/h4*1,3-9H2,2H3;/q;;;;-1.
What are the key properties of tetra(nonyl)alumanuide?
tetra(nonyl)alumanuide has a molecular weight of 535.99 g/mol, XLogP of 14.44, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetra(nonyl)alumanuide is sourced from PubChem (CID 16706879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).