tris(2-methylpropoxy)alumane

C12H27AlO3 — CID 16689601

IUPACtris(2-methylpropoxy)alumane
SMILESCC(C)CO[Al](OCC(C)C)OCC(C)C
InChIInChI=1S/3C4H9O.Al/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyDAOVYDBYKGXFOB-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.99
Rot. Bonds9

About tris(2-methylpropoxy)alumane

tris(2-methylpropoxy)alumane (PubChem CID 16689601) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is tris(2-methylpropoxy)alumane.

Molecular Properties

Compound Nametris(2-methylpropoxy)alumane
PubChem CID16689601
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Nametris(2-methylpropoxy)alumane
SMILESCC(C)CO[Al](OCC(C)C)OCC(C)C
InChIInChI=1S/3C4H9O.Al/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyDAOVYDBYKGXFOB-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum tributoxide, 95%
CID 16684880
1-Propanol, 2-methyl-, aluminum salt (3:1)
CID 165121
Ethoxydiisobutylaluminium
CID 16684015
2-Methyl-1-[(2-methylpropyl)peroxy]propane
CID 21863597
Triisobutoxy-arsine
CID 12964989
Butoxybis(2-methylpropyl)alumane
CID 16694179
Tripropoxyaluminum
CID 16697137
Diisobutylaluminum isobutoxide
CID 16705250
Triiso pentoxyaluminum
CID 16707168
Antimony tri-isobutoxide
CID 16709013
Thallium triisobutylate
CID 129803532
Barium bis-isobutoxide
CID 140340753

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropoxy)alumane?
The IUPAC name of tris(2-methylpropoxy)alumane (CID 16689601) is tris(2-methylpropoxy)alumane.
What is the SMILES notation for tris(2-methylpropoxy)alumane?
The canonical SMILES for tris(2-methylpropoxy)alumane is CC(C)CO[Al](OCC(C)C)OCC(C)C.
What is the InChIKey of tris(2-methylpropoxy)alumane?
The InChIKey is DAOVYDBYKGXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al/c3*1-4(2)3-5;/h3*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of tris(2-methylpropoxy)alumane?
tris(2-methylpropoxy)alumane has a molecular weight of 246.33 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropoxy)alumane is sourced from PubChem (CID 16689601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).