dichloroalumanylium;ethanolate

C2H5AlCl2O — CID 87084165

IUPACdichloroalumanylium;ethanolate
SMILESCC[O-].Cl[Al+]Cl
InChIInChI=1S/C2H5O.Al.2ClH/c1-2-3;;;/h2H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyNPEFICOHWIZPMC-UHFFFAOYSA-L
MW142.95 g/mol
LogP0.36
Rot. Bonds

About dichloroalumanylium;ethanolate

dichloroalumanylium;ethanolate (PubChem CID 87084165) has the molecular formula C2H5AlCl2O and a molecular weight of 142.95 g/mol. Its IUPAC name is dichloroalumanylium;ethanolate.

Molecular Properties

Compound Namedichloroalumanylium;ethanolate
PubChem CID87084165
Molecular FormulaC2H5AlCl2O
Molecular Weight142.95 g/mol
Exact Mass141.95
IUPAC Namedichloroalumanylium;ethanolate
SMILESCC[O-].Cl[Al+]Cl
InChIInChI=1S/C2H5O.Al.2ClH/c1-2-3;;;/h2H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyNPEFICOHWIZPMC-UHFFFAOYSA-L
XLogP0.36
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.95
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichloroalumanylium;ethanolate?
The IUPAC name of dichloroalumanylium;ethanolate (CID 87084165) is dichloroalumanylium;ethanolate.
What is the SMILES notation for dichloroalumanylium;ethanolate?
The canonical SMILES for dichloroalumanylium;ethanolate is CC[O-].Cl[Al+]Cl.
What is the InChIKey of dichloroalumanylium;ethanolate?
The InChIKey is NPEFICOHWIZPMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5O.Al.2ClH/c1-2-3;;;/h2H2,1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of dichloroalumanylium;ethanolate?
dichloroalumanylium;ethanolate has a molecular weight of 142.95 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroalumanylium;ethanolate is sourced from PubChem (CID 87084165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).