triethylalumane;trioctylalumane

C30H66Al2 — CID 158774524

IUPACtriethylalumane;trioctylalumane
SMILESCCCCCCCC[Al](CCCCCCCC)CCCCCCCC.CC[Al](CC)CC
InChIInChI=1S/3C8H17.3C2H5.2Al/c3*1-3-5-7-8-6-4-2;3*1-2;;/h3*1,3-8H2,2H3;3*1H2,2H3;;
InChIKeyIQHPGXFMZXPOFH-UHFFFAOYSA-N
MW480.82 g/mol
LogP12.10
Rot. Bonds24

About triethylalumane;trioctylalumane

triethylalumane;trioctylalumane (PubChem CID 158774524) has the molecular formula C30H66Al2 and a molecular weight of 480.82 g/mol. Its IUPAC name is triethylalumane;trioctylalumane.

Molecular Properties

Compound Nametriethylalumane;trioctylalumane
PubChem CID158774524
Molecular FormulaC30H66Al2
Molecular Weight480.82 g/mol
Exact Mass480.48
IUPAC Nametriethylalumane;trioctylalumane
SMILESCCCCCCCC[Al](CCCCCCCC)CCCCCCCC.CC[Al](CC)CC
InChIInChI=1S/3C8H17.3C2H5.2Al/c3*1-3-5-7-8-6-4-2;3*1-2;;/h3*1,3-8H2,2H3;3*1H2,2H3;;
InChIKeyIQHPGXFMZXPOFH-UHFFFAOYSA-N
XLogP12.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triethylalumane;trioctylalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptane;trihexylalumane
CID 22011139
diethylalumanylium;tridodecylalumane;chloride
CID 87488123
oct-7-enyl(dioctyl)alumane
CID 164808978
N,N-dioctyloctan-1-amine;triethylalumane
CID 172737548
dimethyl(nonadecyl)alumane
CID 142743873
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of triethylalumane;trioctylalumane?
The IUPAC name of triethylalumane;trioctylalumane (CID 158774524) is triethylalumane;trioctylalumane.
What is the SMILES notation for triethylalumane;trioctylalumane?
The canonical SMILES for triethylalumane;trioctylalumane is CCCCCCCC[Al](CCCCCCCC)CCCCCCCC.CC[Al](CC)CC.
What is the InChIKey of triethylalumane;trioctylalumane?
The InChIKey is IQHPGXFMZXPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.3C2H5.2Al/c3*1-3-5-7-8-6-4-2;3*1-2;;/h3*1,3-8H2,2H3;3*1H2,2H3;;.
What are the key properties of triethylalumane;trioctylalumane?
triethylalumane;trioctylalumane has a molecular weight of 480.82 g/mol, XLogP of 12.10, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethylalumane;trioctylalumane is sourced from PubChem (CID 158774524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).