diethoxy(methyl)alumane

C5H13AlO2 — CID 16693155

IUPACdiethoxy(methyl)alumane
SMILESCCO[Al](C)OCC
InChIInChI=1S/2C2H5O.CH3.Al/c2*1-2-3;;/h2*2H2,1H3;1H3;/q2*-1;;+2
InChIKeyJXVBWSROJSOQFU-UHFFFAOYSA-N
MW132.14 g/mol
LogP1.18
Rot. Bonds4

About diethoxy(methyl)alumane

diethoxy(methyl)alumane (PubChem CID 16693155) has the molecular formula C5H13AlO2 and a molecular weight of 132.14 g/mol. Its IUPAC name is diethoxy(methyl)alumane.

Molecular Properties

Compound Namediethoxy(methyl)alumane
PubChem CID16693155
Molecular FormulaC5H13AlO2
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Namediethoxy(methyl)alumane
SMILESCCO[Al](C)OCC
InChIInChI=1S/2C2H5O.CH3.Al/c2*1-2-3;;/h2*2H2,1H3;1H3;/q2*-1;;+2
InChIKeyJXVBWSROJSOQFU-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze diethoxy(methyl)alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aluminum ethylate
CID 11153
Ethoxydiethylaluminium
CID 16683109
Aluminiumalkoholat
CID 16685041
Ethylaluminum diethoxide
CID 16687492
CID 16687730
CID 16687730
LiAlH2(OEt)2
CID 16688255
(2-Methoxyethoxy)dimethylaluminum
CID 16689650
Aluminium fluoride ethoxide (1/1/2)
CID 16699585
Ethoxy-ethyl-fluoroalumane
CID 145784168
Sodium ethylaluminum triethoxide
CID 129678026
Sodium triethoxy-aluminohydride
CID 129804789
Diethoxy(ethyl)alumane;ethoxy(diethyl)alumane
CID 16687491

Frequently Asked Questions

What is the IUPAC name of diethoxy(methyl)alumane?
The IUPAC name of diethoxy(methyl)alumane (CID 16693155) is diethoxy(methyl)alumane.
What is the SMILES notation for diethoxy(methyl)alumane?
The canonical SMILES for diethoxy(methyl)alumane is CCO[Al](C)OCC.
What is the InChIKey of diethoxy(methyl)alumane?
The InChIKey is JXVBWSROJSOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.CH3.Al/c2*1-2-3;;/h2*2H2,1H3;1H3;/q2*-1;;+2.
What are the key properties of diethoxy(methyl)alumane?
diethoxy(methyl)alumane has a molecular weight of 132.14 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(methyl)alumane is sourced from PubChem (CID 16693155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).