tributoxyalumane;tri(propan-2-yloxy)alumane

C21H48Al2O6 — CID 87351592

IUPACtributoxyalumane;tri(propan-2-yloxy)alumane
SMILESCC(C)O[Al](OC(C)C)OC(C)C.CCCCO[Al](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.3C3H7O.2Al/c3*1-2-3-4-5;3*1-3(2)4;;/h3*2-4H2,1H3;3*3H,1-2H3;;/q6*-1;2*+3
InChIKeyOVAOWZNEOIBRNE-UHFFFAOYSA-N
MW450.57 g/mol
LogP5.67
Rot. Bonds18

About tributoxyalumane;tri(propan-2-yloxy)alumane

tributoxyalumane;tri(propan-2-yloxy)alumane (PubChem CID 87351592) has the molecular formula C21H48Al2O6 and a molecular weight of 450.57 g/mol. Its IUPAC name is tributoxyalumane;tri(propan-2-yloxy)alumane.

Molecular Properties

Compound Nametributoxyalumane;tri(propan-2-yloxy)alumane
PubChem CID87351592
Molecular FormulaC21H48Al2O6
Molecular Weight450.57 g/mol
Exact Mass450.31
IUPAC Nametributoxyalumane;tri(propan-2-yloxy)alumane
SMILESCC(C)O[Al](OC(C)C)OC(C)C.CCCCO[Al](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.3C3H7O.2Al/c3*1-2-3-4-5;3*1-3(2)4;;/h3*2-4H2,1H3;3*3H,1-2H3;;/q6*-1;2*+3
InChIKeyOVAOWZNEOIBRNE-UHFFFAOYSA-N
XLogP5.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.57
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributoxyalumane;tri(propan-2-yloxy)alumane?
The IUPAC name of tributoxyalumane;tri(propan-2-yloxy)alumane (CID 87351592) is tributoxyalumane;tri(propan-2-yloxy)alumane.
What is the SMILES notation for tributoxyalumane;tri(propan-2-yloxy)alumane?
The canonical SMILES for tributoxyalumane;tri(propan-2-yloxy)alumane is CC(C)O[Al](OC(C)C)OC(C)C.CCCCO[Al](OCCCC)OCCCC.
What is the InChIKey of tributoxyalumane;tri(propan-2-yloxy)alumane?
The InChIKey is OVAOWZNEOIBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.3C3H7O.2Al/c3*1-2-3-4-5;3*1-3(2)4;;/h3*2-4H2,1H3;3*3H,1-2H3;;/q6*-1;2*+3.
What are the key properties of tributoxyalumane;tri(propan-2-yloxy)alumane?
tributoxyalumane;tri(propan-2-yloxy)alumane has a molecular weight of 450.57 g/mol, XLogP of 5.67, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxyalumane;tri(propan-2-yloxy)alumane is sourced from PubChem (CID 87351592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).