tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane

C15H33AlO6 — CID 16697849

IUPACtris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane
SMILESCOCC(C)(C)O[Al](OC(C)(C)COC)OC(C)(C)COC
InChIInChI=1S/3C5H11O2.Al/c3*1-5(2,6)4-7-3;/h3*4H2,1-3H3;/q3*-1;+3
InChIKeyZDVOYLRZWRUNKS-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.30
Rot. Bonds12

About tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane

tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane (PubChem CID 16697849) has the molecular formula C15H33AlO6 and a molecular weight of 336.41 g/mol. Its IUPAC name is tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane.

Molecular Properties

Compound Nametris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane
PubChem CID16697849
Molecular FormulaC15H33AlO6
Molecular Weight336.41 g/mol
Exact Mass336.21
IUPAC Nametris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane
SMILESCOCC(C)(C)O[Al](OC(C)(C)COC)OC(C)(C)COC
InChIInChI=1S/3C5H11O2.Al/c3*1-5(2,6)4-7-3;/h3*4H2,1-3H3;/q3*-1;+3
InChIKeyZDVOYLRZWRUNKS-UHFFFAOYSA-N
XLogP2.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane?
The IUPAC name of tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane (CID 16697849) is tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane.
What is the SMILES notation for tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane?
The canonical SMILES for tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane is COCC(C)(C)O[Al](OC(C)(C)COC)OC(C)(C)COC.
What is the InChIKey of tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane?
The InChIKey is ZDVOYLRZWRUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11O2.Al/c3*1-5(2,6)4-7-3;/h3*4H2,1-3H3;/q3*-1;+3.
What are the key properties of tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane?
tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane has a molecular weight of 336.41 g/mol, XLogP of 2.30, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane is sourced from PubChem (CID 16697849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).