tris[(2-methylpropan-2-yl)oxy]alumane

C12H27AlO3 — CID 16684776

IUPACtris[(2-methylpropan-2-yl)oxy]alumane
SMILESCC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
InChIKeyMDDPTCUZZASZIQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.42
Rot. Bonds3

About tris[(2-methylpropan-2-yl)oxy]alumane

tris[(2-methylpropan-2-yl)oxy]alumane (PubChem CID 16684776) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is tris[(2-methylpropan-2-yl)oxy]alumane.

Molecular Properties

Compound Nametris[(2-methylpropan-2-yl)oxy]alumane
PubChem CID16684776
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Nametris[(2-methylpropan-2-yl)oxy]alumane
SMILESCC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
InChIKeyMDDPTCUZZASZIQ-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of tris[(2-methylpropan-2-yl)oxy]alumane?
The IUPAC name of tris[(2-methylpropan-2-yl)oxy]alumane (CID 16684776) is tris[(2-methylpropan-2-yl)oxy]alumane.
What is the SMILES notation for tris[(2-methylpropan-2-yl)oxy]alumane?
The canonical SMILES for tris[(2-methylpropan-2-yl)oxy]alumane is CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of tris[(2-methylpropan-2-yl)oxy]alumane?
The InChIKey is MDDPTCUZZASZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3.
What are the key properties of tris[(2-methylpropan-2-yl)oxy]alumane?
tris[(2-methylpropan-2-yl)oxy]alumane has a molecular weight of 246.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(2-methylpropan-2-yl)oxy]alumane is sourced from PubChem (CID 16684776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).