aluminum;ethane;chloride

C4H10AlCl — CID 15978374

IUPACaluminum;ethane;chloride
SMILES[Al+3].[CH2-]C.[CH2-]C.[Cl-]
InChIInChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q2*-1;+3;/p-1
InChIKeyHTQBRZRNYCMSKZ-UHFFFAOYSA-M
MW120.56 g/mol
LogP-1.70
Rot. Bonds

About aluminum;ethane;chloride

aluminum;ethane;chloride (PubChem CID 15978374) has the molecular formula C4H10AlCl and a molecular weight of 120.56 g/mol. Its IUPAC name is aluminum;ethane;chloride.

Molecular Properties

Compound Namealuminum;ethane;chloride
PubChem CID15978374
Molecular FormulaC4H10AlCl
Molecular Weight120.56 g/mol
Exact Mass120.03
IUPAC Namealuminum;ethane;chloride
SMILES[Al+3].[CH2-]C.[CH2-]C.[Cl-]
InChIInChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q2*-1;+3;/p-1
InChIKeyHTQBRZRNYCMSKZ-UHFFFAOYSA-M
XLogP-1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.56
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aluminum;ethane;chloride?
The IUPAC name of aluminum;ethane;chloride (CID 15978374) is aluminum;ethane;chloride.
What is the SMILES notation for aluminum;ethane;chloride?
The canonical SMILES for aluminum;ethane;chloride is [Al+3].[CH2-]C.[CH2-]C.[Cl-].
What is the InChIKey of aluminum;ethane;chloride?
The InChIKey is HTQBRZRNYCMSKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q2*-1;+3;/p-1.
What are the key properties of aluminum;ethane;chloride?
aluminum;ethane;chloride has a molecular weight of 120.56 g/mol, XLogP of -1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;ethane;chloride is sourced from PubChem (CID 15978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).