trihexyl(octyl)alumanuide

C26H56Al- — CID 19693696

IUPACtrihexyl(octyl)alumanuide
SMILESCCCCCCCC[Al-](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C8H17.3C6H13.Al/c1-3-5-7-8-6-4-2;3*1-3-5-6-4-2;/h1,3-8H2,2H3;3*1,3-6H2,2H3;/q;;;;-1
InChIKeyKCAXDOUZRFWCLJ-UHFFFAOYSA-N
MW395.72 g/mol
LogP10.54
Rot. Bonds22

About trihexyl(octyl)alumanuide

trihexyl(octyl)alumanuide (PubChem CID 19693696) has the molecular formula C26H56Al- and a molecular weight of 395.72 g/mol. Its IUPAC name is trihexyl(octyl)alumanuide.

Molecular Properties

Compound Nametrihexyl(octyl)alumanuide
PubChem CID19693696
Molecular FormulaC26H56Al-
Molecular Weight395.72 g/mol
Exact Mass395.42
IUPAC Nametrihexyl(octyl)alumanuide
SMILESCCCCCCCC[Al-](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C8H17.3C6H13.Al/c1-3-5-7-8-6-4-2;3*1-3-5-6-4-2;/h1,3-8H2,2H3;3*1,3-6H2,2H3;/q;;;;-1
InChIKeyKCAXDOUZRFWCLJ-UHFFFAOYSA-N
XLogP10.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 510.54
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
tetra(nonyl)alumanuide
CID 16706879
lithium tetrabutylalumanuide
CID 16693939
CID 161246447
CID 161246447
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of trihexyl(octyl)alumanuide?
The IUPAC name of trihexyl(octyl)alumanuide (CID 19693696) is trihexyl(octyl)alumanuide.
What is the SMILES notation for trihexyl(octyl)alumanuide?
The canonical SMILES for trihexyl(octyl)alumanuide is CCCCCCCC[Al-](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl(octyl)alumanuide?
The InChIKey is KCAXDOUZRFWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.3C6H13.Al/c1-3-5-7-8-6-4-2;3*1-3-5-6-4-2;/h1,3-8H2,2H3;3*1,3-6H2,2H3;/q;;;;-1.
What are the key properties of trihexyl(octyl)alumanuide?
trihexyl(octyl)alumanuide has a molecular weight of 395.72 g/mol, XLogP of 10.54, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(octyl)alumanuide is sourced from PubChem (CID 19693696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).