tributoxyalumane

C12H27AlO3 — CID 16684880

IUPACtributoxyalumane
SMILESCCCCO[Al](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyMYWQGROTKMBNKN-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.42
Rot. Bonds12

About tributoxyalumane

tributoxyalumane (PubChem CID 16684880) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is tributoxyalumane.

Molecular Properties

Compound Nametributoxyalumane
PubChem CID16684880
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Nametributoxyalumane
SMILESCCCCO[Al](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyMYWQGROTKMBNKN-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.42
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

Aluminum butylate
CID 6451513
Dibutyl peroxide
CID 77458
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Lead dibutanolate
CID 6455035
1-Butanol, magnesium salt (2:1)
CID 167494
Aluminum tri-iso-propoxide
CID 16685055
Aluminum(III) s-butoxide
CID 16685157
Antimony(III)butoxide
CID 16693615
Tributoxythallane
CID 90474672
Magnesium butoxide
CID 10888352
Tributoxy-arsine
CID 14420822
Tributoxy indium
CID 16688111

Frequently Asked Questions

What is the IUPAC name of tributoxyalumane?
The IUPAC name of tributoxyalumane (CID 16684880) is tributoxyalumane.
What is the SMILES notation for tributoxyalumane?
The canonical SMILES for tributoxyalumane is CCCCO[Al](OCCCC)OCCCC.
What is the InChIKey of tributoxyalumane?
The InChIKey is MYWQGROTKMBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of tributoxyalumane?
tributoxyalumane has a molecular weight of 246.33 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxyalumane is sourced from PubChem (CID 16684880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).