diethylalumane;hydrate;hydrochloride

C4H14AlClO — CID 174360509

IUPACdiethylalumane;hydrate;hydrochloride
SMILESCC[AlH]CC.Cl.O
InChIInChI=1S/2C2H5.Al.ClH.H2O.H/c2*1-2;;;;/h2*1H2,2H3;;1H;1H2;
InChIKeyBCWPHJOLKKRSCP-UHFFFAOYSA-N
MW140.59 g/mol
LogP0.90
Rot. Bonds2

About diethylalumane;hydrate;hydrochloride

diethylalumane;hydrate;hydrochloride (PubChem CID 174360509) has the molecular formula C4H14AlClO and a molecular weight of 140.59 g/mol. Its IUPAC name is diethylalumane;hydrate;hydrochloride.

Molecular Properties

Compound Namediethylalumane;hydrate;hydrochloride
PubChem CID174360509
Molecular FormulaC4H14AlClO
Molecular Weight140.59 g/mol
Exact Mass140.05
IUPAC Namediethylalumane;hydrate;hydrochloride
SMILESCC[AlH]CC.Cl.O
InChIInChI=1S/2C2H5.Al.ClH.H2O.H/c2*1-2;;;;/h2*1H2,2H3;;1H;1H2;
InChIKeyBCWPHJOLKKRSCP-UHFFFAOYSA-N
XLogP0.90
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of diethylalumane;hydrate;hydrochloride?
The IUPAC name of diethylalumane;hydrate;hydrochloride (CID 174360509) is diethylalumane;hydrate;hydrochloride.
What is the SMILES notation for diethylalumane;hydrate;hydrochloride?
The canonical SMILES for diethylalumane;hydrate;hydrochloride is CC[AlH]CC.Cl.O.
What is the InChIKey of diethylalumane;hydrate;hydrochloride?
The InChIKey is BCWPHJOLKKRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.Al.ClH.H2O.H/c2*1-2;;;;/h2*1H2,2H3;;1H;1H2;.
What are the key properties of diethylalumane;hydrate;hydrochloride?
diethylalumane;hydrate;hydrochloride has a molecular weight of 140.59 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumane;hydrate;hydrochloride is sourced from PubChem (CID 174360509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).