tris(3,4-diethyloctan-3-yloxy)alumane

C36H75AlO3 — CID 141326405

IUPACtris(3,4-diethyloctan-3-yloxy)alumane
SMILESCCCCC(CC)C(CC)(CC)O[Al](OC(CC)(CC)C(CC)CCCC)OC(CC)(CC)C(CC)CCCC
InChIInChI=1S/3C12H25O.Al/c3*1-5-9-10-11(6-2)12(13,7-3)8-4;/h3*11H,5-10H2,1-4H3;/q3*-1;+3
InChIKeyQNKVAASEVFIBOA-UHFFFAOYSA-N
MW582.98 g/mol
LogP12.35
Rot. Bonds27

About tris(3,4-diethyloctan-3-yloxy)alumane

tris(3,4-diethyloctan-3-yloxy)alumane (PubChem CID 141326405) has the molecular formula C36H75AlO3 and a molecular weight of 582.98 g/mol. Its IUPAC name is tris(3,4-diethyloctan-3-yloxy)alumane.

Molecular Properties

Compound Nametris(3,4-diethyloctan-3-yloxy)alumane
PubChem CID141326405
Molecular FormulaC36H75AlO3
Molecular Weight582.98 g/mol
Exact Mass582.55
IUPAC Nametris(3,4-diethyloctan-3-yloxy)alumane
SMILESCCCCC(CC)C(CC)(CC)O[Al](OC(CC)(CC)C(CC)CCCC)OC(CC)(CC)C(CC)CCCC
InChIInChI=1S/3C12H25O.Al/c3*1-5-9-10-11(6-2)12(13,7-3)8-4;/h3*11H,5-10H2,1-4H3;/q3*-1;+3
InChIKeyQNKVAASEVFIBOA-UHFFFAOYSA-N
XLogP12.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.98
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tris[(3-butyl-2-methylheptan-2-yl)oxy]alumane
CID 141378882
3-ethyl-2,2-dimethylheptane
CID 20686447
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
2-chloro-3-ethyl-2-methylheptane
CID 141208623
(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
[3,4-diethyl-2-(4-ethyl-3-phosphanyloctan-3-yl)-2-phosphanyloctan-3-yl]phosphane
CID 90111416
3,4-diethylnonan-3-amine;hydrochloride
CID 173157621
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
4-ethylnonane-3,3-diamine
CID 168918748
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
4-ethyl-3,3-diiodododecane
CID 150472886
4-ethylundecane-3,3-diol
CID 156789030

Frequently Asked Questions

What is the IUPAC name of tris(3,4-diethyloctan-3-yloxy)alumane?
The IUPAC name of tris(3,4-diethyloctan-3-yloxy)alumane (CID 141326405) is tris(3,4-diethyloctan-3-yloxy)alumane.
What is the SMILES notation for tris(3,4-diethyloctan-3-yloxy)alumane?
The canonical SMILES for tris(3,4-diethyloctan-3-yloxy)alumane is CCCCC(CC)C(CC)(CC)O[Al](OC(CC)(CC)C(CC)CCCC)OC(CC)(CC)C(CC)CCCC.
What is the InChIKey of tris(3,4-diethyloctan-3-yloxy)alumane?
The InChIKey is QNKVAASEVFIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H25O.Al/c3*1-5-9-10-11(6-2)12(13,7-3)8-4;/h3*11H,5-10H2,1-4H3;/q3*-1;+3.
What are the key properties of tris(3,4-diethyloctan-3-yloxy)alumane?
tris(3,4-diethyloctan-3-yloxy)alumane has a molecular weight of 582.98 g/mol, XLogP of 12.35, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,4-diethyloctan-3-yloxy)alumane is sourced from PubChem (CID 141326405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).