aluminum;methanolate;dichloride

CH3AlCl2O — CID 174515656

IUPACaluminum;methanolate;dichloride
SMILESC[O-].[Al+3].[Cl-].[Cl-]
InChIInChI=1S/CH3O.Al.2ClH/c1-2;;;/h1H3;;2*1H/q-1;+3;;/p-2
InChIKeyAOYJIPLDLORDHC-UHFFFAOYSA-L
MW128.92 g/mol
LogP-7.40
Rot. Bonds

About aluminum;methanolate;dichloride

aluminum;methanolate;dichloride (PubChem CID 174515656) has the molecular formula CH3AlCl2O and a molecular weight of 128.92 g/mol. Its IUPAC name is aluminum;methanolate;dichloride.

Molecular Properties

Compound Namealuminum;methanolate;dichloride
PubChem CID174515656
Molecular FormulaCH3AlCl2O
Molecular Weight128.92 g/mol
Exact Mass127.94
IUPAC Namealuminum;methanolate;dichloride
SMILESC[O-].[Al+3].[Cl-].[Cl-]
InChIInChI=1S/CH3O.Al.2ClH/c1-2;;;/h1H3;;2*1H/q-1;+3;;/p-2
InChIKeyAOYJIPLDLORDHC-UHFFFAOYSA-L
XLogP-7.40
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.92
LogP ≤ 5-7.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of aluminum;methanolate;dichloride?
The IUPAC name of aluminum;methanolate;dichloride (CID 174515656) is aluminum;methanolate;dichloride.
What is the SMILES notation for aluminum;methanolate;dichloride?
The canonical SMILES for aluminum;methanolate;dichloride is C[O-].[Al+3].[Cl-].[Cl-].
What is the InChIKey of aluminum;methanolate;dichloride?
The InChIKey is AOYJIPLDLORDHC-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3O.Al.2ClH/c1-2;;;/h1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of aluminum;methanolate;dichloride?
aluminum;methanolate;dichloride has a molecular weight of 128.92 g/mol, XLogP of -7.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;methanolate;dichloride is sourced from PubChem (CID 174515656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).