tetrahexylalumanuide

C24H52Al- — CID 16687628

IUPACtetrahexylalumanuide
SMILESCCCCCC[Al-](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/4C6H13.Al/c4*1-3-5-6-4-2;/h4*1,3-6H2,2H3;/q;;;;-1
InChIKeyROFNBXKWBGYHTG-UHFFFAOYSA-N
MW367.66 g/mol
LogP9.76
Rot. Bonds20

About tetrahexylalumanuide

tetrahexylalumanuide (PubChem CID 16687628) has the molecular formula C24H52Al- and a molecular weight of 367.66 g/mol. Its IUPAC name is tetrahexylalumanuide.

Molecular Properties

Compound Nametetrahexylalumanuide
PubChem CID16687628
Molecular FormulaC24H52Al-
Molecular Weight367.66 g/mol
Exact Mass367.39
IUPAC Nametetrahexylalumanuide
SMILESCCCCCC[Al-](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/4C6H13.Al/c4*1-3-5-6-4-2;/h4*1,3-6H2,2H3;/q;;;;-1
InChIKeyROFNBXKWBGYHTG-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 59.76
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

tetra(nonyl)alumanuide
CID 16706879
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
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of tetrahexylalumanuide?
The IUPAC name of tetrahexylalumanuide (CID 16687628) is tetrahexylalumanuide.
What is the SMILES notation for tetrahexylalumanuide?
The canonical SMILES for tetrahexylalumanuide is CCCCCC[Al-](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of tetrahexylalumanuide?
The InChIKey is ROFNBXKWBGYHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H13.Al/c4*1-3-5-6-4-2;/h4*1,3-6H2,2H3;/q;;;;-1.
What are the key properties of tetrahexylalumanuide?
tetrahexylalumanuide has a molecular weight of 367.66 g/mol, XLogP of 9.76, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrahexylalumanuide is sourced from PubChem (CID 16687628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).