diethoxy(2-methylpropyl)alumane

C8H19AlO2 — CID 16697229

IUPACdiethoxy(2-methylpropyl)alumane
SMILESCCO[Al](CC(C)C)OCC
InChIInChI=1S/C4H9.2C2H5O.Al/c1-4(2)3;2*1-2-3;/h4H,1H2,2-3H3;2*2H2,1H3;/q;2*-1;+2
InChIKeyYEMLBLTUNOJCQH-UHFFFAOYSA-N
MW174.22 g/mol
LogP2.20
Rot. Bonds6

About diethoxy(2-methylpropyl)alumane

diethoxy(2-methylpropyl)alumane (PubChem CID 16697229) has the molecular formula C8H19AlO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is diethoxy(2-methylpropyl)alumane.

Molecular Properties

Compound Namediethoxy(2-methylpropyl)alumane
PubChem CID16697229
Molecular FormulaC8H19AlO2
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Namediethoxy(2-methylpropyl)alumane
SMILESCCO[Al](CC(C)C)OCC
InChIInChI=1S/C4H9.2C2H5O.Al/c1-4(2)3;2*1-2-3;/h4H,1H2,2-3H3;2*2H2,1H3;/q;2*-1;+2
InChIKeyYEMLBLTUNOJCQH-UHFFFAOYSA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diethoxy(2-methylpropyl)alumane?
The IUPAC name of diethoxy(2-methylpropyl)alumane (CID 16697229) is diethoxy(2-methylpropyl)alumane.
What is the SMILES notation for diethoxy(2-methylpropyl)alumane?
The canonical SMILES for diethoxy(2-methylpropyl)alumane is CCO[Al](CC(C)C)OCC.
What is the InChIKey of diethoxy(2-methylpropyl)alumane?
The InChIKey is YEMLBLTUNOJCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.2C2H5O.Al/c1-4(2)3;2*1-2-3;/h4H,1H2,2-3H3;2*2H2,1H3;/q;2*-1;+2.
What are the key properties of diethoxy(2-methylpropyl)alumane?
diethoxy(2-methylpropyl)alumane has a molecular weight of 174.22 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(2-methylpropyl)alumane is sourced from PubChem (CID 16697229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).