chloro(diethoxy)alumane

C4H10AlClO2 — CID 16688437

IUPACchloro(diethoxy)alumane
SMILESCCO[Al](Cl)OCC
InChIInChI=1S/2C2H5O.Al.ClH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyWQAJKGNQVZTJAE-UHFFFAOYSA-M
MW152.56 g/mol
LogP1.28
Rot. Bonds4

About chloro(diethoxy)alumane

chloro(diethoxy)alumane (PubChem CID 16688437) has the molecular formula C4H10AlClO2 and a molecular weight of 152.56 g/mol. Its IUPAC name is chloro(diethoxy)alumane.

Molecular Properties

Compound Namechloro(diethoxy)alumane
PubChem CID16688437
Molecular FormulaC4H10AlClO2
Molecular Weight152.56 g/mol
Exact Mass152.02
IUPAC Namechloro(diethoxy)alumane
SMILESCCO[Al](Cl)OCC
InChIInChI=1S/2C2H5O.Al.ClH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyWQAJKGNQVZTJAE-UHFFFAOYSA-M
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.56
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of chloro(diethoxy)alumane?
The IUPAC name of chloro(diethoxy)alumane (CID 16688437) is chloro(diethoxy)alumane.
What is the SMILES notation for chloro(diethoxy)alumane?
The canonical SMILES for chloro(diethoxy)alumane is CCO[Al](Cl)OCC.
What is the InChIKey of chloro(diethoxy)alumane?
The InChIKey is WQAJKGNQVZTJAE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5O.Al.ClH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1.
What are the key properties of chloro(diethoxy)alumane?
chloro(diethoxy)alumane has a molecular weight of 152.56 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diethoxy)alumane is sourced from PubChem (CID 16688437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).