trioctoxyalumane

C24H51AlO3 — CID 16712392

IUPACtrioctoxyalumane
SMILESCCCCCCCCO[Al](OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/3C8H17O.Al/c3*1-2-3-4-5-6-7-8-9;/h3*2-8H2,1H3;/q3*-1;+3
InChIKeyZFYVMCFENKKDFG-UHFFFAOYSA-N
MW414.65 g/mol
LogP8.10
Rot. Bonds24

About trioctoxyalumane

trioctoxyalumane (PubChem CID 16712392) has the molecular formula C24H51AlO3 and a molecular weight of 414.65 g/mol. Its IUPAC name is trioctoxyalumane.

Molecular Properties

Compound Nametrioctoxyalumane
PubChem CID16712392
Molecular FormulaC24H51AlO3
Molecular Weight414.65 g/mol
Exact Mass414.37
IUPAC Nametrioctoxyalumane
SMILESCCCCCCCCO[Al](OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/3C8H17O.Al/c3*1-2-3-4-5-6-7-8-9;/h3*2-8H2,1H3;/q3*-1;+3
InChIKeyZFYVMCFENKKDFG-UHFFFAOYSA-N
XLogP8.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.65
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decoxy(diethyl)alumane
CID 23362562
diethyl(octoxy)alumane
CID 71351019
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626
dodecylmercury;hydrate
CID 78070234
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of trioctoxyalumane?
The IUPAC name of trioctoxyalumane (CID 16712392) is trioctoxyalumane.
What is the SMILES notation for trioctoxyalumane?
The canonical SMILES for trioctoxyalumane is CCCCCCCCO[Al](OCCCCCCCC)OCCCCCCCC.
What is the InChIKey of trioctoxyalumane?
The InChIKey is ZFYVMCFENKKDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17O.Al/c3*1-2-3-4-5-6-7-8-9;/h3*2-8H2,1H3;/q3*-1;+3.
What are the key properties of trioctoxyalumane?
trioctoxyalumane has a molecular weight of 414.65 g/mol, XLogP of 8.10, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trioctoxyalumane is sourced from PubChem (CID 16712392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).