ethoxy-bis(2-methylpropyl)alumane

C10H23AlO — CID 16684015

IUPACethoxy-bis(2-methylpropyl)alumane
SMILESCCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/2C4H9.C2H5O.Al/c2*1-4(2)3;1-2-3;/h2*4H,1H2,2-3H3;2H2,1H3;/q;;-1;+1
InChIKeyXGAIERUWZADBAO-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.33
Rot. Bonds6

About ethoxy-bis(2-methylpropyl)alumane

ethoxy-bis(2-methylpropyl)alumane (PubChem CID 16684015) has the molecular formula C10H23AlO and a molecular weight of 186.27 g/mol. Its IUPAC name is ethoxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Nameethoxy-bis(2-methylpropyl)alumane
PubChem CID16684015
Molecular FormulaC10H23AlO
Molecular Weight186.27 g/mol
Exact Mass186.16
IUPAC Nameethoxy-bis(2-methylpropyl)alumane
SMILESCCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/2C4H9.C2H5O.Al/c2*1-4(2)3;1-2-3;/h2*4H,1H2,2-3H3;2H2,1H3;/q;;-1;+1
InChIKeyXGAIERUWZADBAO-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxy-bis(2-methylpropyl)alumane?
The IUPAC name of ethoxy-bis(2-methylpropyl)alumane (CID 16684015) is ethoxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for ethoxy-bis(2-methylpropyl)alumane?
The canonical SMILES for ethoxy-bis(2-methylpropyl)alumane is CCO[Al](CC(C)C)CC(C)C.
What is the InChIKey of ethoxy-bis(2-methylpropyl)alumane?
The InChIKey is XGAIERUWZADBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C2H5O.Al/c2*1-4(2)3;1-2-3;/h2*4H,1H2,2-3H3;2H2,1H3;/q;;-1;+1.
What are the key properties of ethoxy-bis(2-methylpropyl)alumane?
ethoxy-bis(2-methylpropyl)alumane has a molecular weight of 186.27 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16684015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).