bromo(diethoxy)alumane

C4H10AlBrO2 — CID 16693048

IUPACbromo(diethoxy)alumane
SMILESCCO[Al](Br)OCC
InChIInChI=1S/2C2H5O.Al.BrH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyVDFXBQRZJBMKSN-UHFFFAOYSA-M
MW197.01 g/mol
LogP1.44
Rot. Bonds4

About bromo(diethoxy)alumane

bromo(diethoxy)alumane (PubChem CID 16693048) has the molecular formula C4H10AlBrO2 and a molecular weight of 197.01 g/mol. Its IUPAC name is bromo(diethoxy)alumane.

Molecular Properties

Compound Namebromo(diethoxy)alumane
PubChem CID16693048
Molecular FormulaC4H10AlBrO2
Molecular Weight197.01 g/mol
Exact Mass195.97
IUPAC Namebromo(diethoxy)alumane
SMILESCCO[Al](Br)OCC
InChIInChI=1S/2C2H5O.Al.BrH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyVDFXBQRZJBMKSN-UHFFFAOYSA-M
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.01
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bromo(diethoxy)alumane?
The IUPAC name of bromo(diethoxy)alumane (CID 16693048) is bromo(diethoxy)alumane.
What is the SMILES notation for bromo(diethoxy)alumane?
The canonical SMILES for bromo(diethoxy)alumane is CCO[Al](Br)OCC.
What is the InChIKey of bromo(diethoxy)alumane?
The InChIKey is VDFXBQRZJBMKSN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5O.Al.BrH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1.
What are the key properties of bromo(diethoxy)alumane?
bromo(diethoxy)alumane has a molecular weight of 197.01 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(diethoxy)alumane is sourced from PubChem (CID 16693048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).