ethanolate;propylaluminum(2+)

C7H17AlO2 — CID 18688275

IUPACethanolate;propylaluminum(2+)
SMILESCCC[Al+2].CC[O-].CC[O-]
InChIInChI=1S/C3H7.2C2H5O.Al/c1-3-2;2*1-2-3;/h1,3H2,2H3;2*2H2,1H3;/q;2*-1;+2
InChIKeyVIOFGSVPZIUESI-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.28
Rot. Bonds1

About ethanolate;propylaluminum(2+)

ethanolate;propylaluminum(2+) (PubChem CID 18688275) has the molecular formula C7H17AlO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is ethanolate;propylaluminum(2+).

Molecular Properties

Compound Nameethanolate;propylaluminum(2+)
PubChem CID18688275
Molecular FormulaC7H17AlO2
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Nameethanolate;propylaluminum(2+)
SMILESCCC[Al+2].CC[O-].CC[O-]
InChIInChI=1S/C3H7.2C2H5O.Al/c1-3-2;2*1-2-3;/h1,3H2,2H3;2*2H2,1H3;/q;2*-1;+2
InChIKeyVIOFGSVPZIUESI-UHFFFAOYSA-N
XLogP-0.28
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Aluminum butylate
CID 6451513
Tripropoxyaluminum
CID 16697137
Diethylpropoxyaluminum
CID 85869655
Aluminum tris(propan-1-olate)
CID 10198143
Diethoxy(ethyl)alumane;ethoxy(diethyl)alumane
CID 16687491
CID 16702320
CID 16702320
Methyl-di(propan-2-yloxy)alumane
CID 16702499
Dibutoxy(butyl)alumane
CID 16703602
Ethoxy(dipropoxy)alumane
CID 16705549
CID 16706213
CID 16706213
Bis(propan-2-olate);propan-2-ylaluminum(2+)
CID 18316818
Bis(butan-1-olate);ethylaluminum(2+)
CID 18349415

Frequently Asked Questions

What is the IUPAC name of ethanolate;propylaluminum(2+)?
The IUPAC name of ethanolate;propylaluminum(2+) (CID 18688275) is ethanolate;propylaluminum(2+).
What is the SMILES notation for ethanolate;propylaluminum(2+)?
The canonical SMILES for ethanolate;propylaluminum(2+) is CCC[Al+2].CC[O-].CC[O-].
What is the InChIKey of ethanolate;propylaluminum(2+)?
The InChIKey is VIOFGSVPZIUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7.2C2H5O.Al/c1-3-2;2*1-2-3;/h1,3H2,2H3;2*2H2,1H3;/q;2*-1;+2.
What are the key properties of ethanolate;propylaluminum(2+)?
ethanolate;propylaluminum(2+) has a molecular weight of 160.19 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;propylaluminum(2+) is sourced from PubChem (CID 18688275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).