aluminum;ethanolate;chloride

C4H10AlClO2 — CID 170842416

IUPACaluminum;ethanolate;chloride
SMILESCC[O-].CC[O-].[Al+3].[Cl-]
InChIInChI=1S/2C2H5O.Al.ClH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyWQAJKGNQVZTJAE-UHFFFAOYSA-M
MW152.56 g/mol
LogP-4.64
Rot. Bonds

About aluminum;ethanolate;chloride

aluminum;ethanolate;chloride (PubChem CID 170842416) has the molecular formula C4H10AlClO2 and a molecular weight of 152.56 g/mol. Its IUPAC name is aluminum;ethanolate;chloride.

Molecular Properties

Compound Namealuminum;ethanolate;chloride
PubChem CID170842416
Molecular FormulaC4H10AlClO2
Molecular Weight152.56 g/mol
Exact Mass152.02
IUPAC Namealuminum;ethanolate;chloride
SMILESCC[O-].CC[O-].[Al+3].[Cl-]
InChIInChI=1S/2C2H5O.Al.ClH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyWQAJKGNQVZTJAE-UHFFFAOYSA-M
XLogP-4.64
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.56
LogP ≤ 5-4.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of aluminum;ethanolate;chloride?
The IUPAC name of aluminum;ethanolate;chloride (CID 170842416) is aluminum;ethanolate;chloride.
What is the SMILES notation for aluminum;ethanolate;chloride?
The canonical SMILES for aluminum;ethanolate;chloride is CC[O-].CC[O-].[Al+3].[Cl-].
What is the InChIKey of aluminum;ethanolate;chloride?
The InChIKey is WQAJKGNQVZTJAE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5O.Al.ClH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1.
What are the key properties of aluminum;ethanolate;chloride?
aluminum;ethanolate;chloride has a molecular weight of 152.56 g/mol, XLogP of -4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;ethanolate;chloride is sourced from PubChem (CID 170842416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).