bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride

C15H55Al6BrCl4F2 — CID 174808729

IUPACbis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride
SMILESBr.CC[AlH2].CC[AlH]CC.CC[AlH]CC.C[AlH2].C[AlH]C.C[AlH]C.Cl.Cl.Cl.Cl.F.F
InChIInChI=1S/5C2H5.5CH3.6Al.BrH.4ClH.2FH.8H/c5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1H2,2H3;5*1H3;;;;;;;7*1H;;;;;;;;
InChIKeyNADLPNATFQOWRZ-UHFFFAOYSA-N
MW657.21 g/mol
LogP5.93
Rot. Bonds4

About bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride

bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride (PubChem CID 174808729) has the molecular formula C15H55Al6BrCl4F2 and a molecular weight of 657.21 g/mol. Its IUPAC name is bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride.

Molecular Properties

Compound Namebis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride
PubChem CID174808729
Molecular FormulaC15H55Al6BrCl4F2
Molecular Weight657.21 g/mol
Exact Mass654.11
IUPAC Namebis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride
SMILESBr.CC[AlH2].CC[AlH]CC.CC[AlH]CC.C[AlH2].C[AlH]C.C[AlH]C.Cl.Cl.Cl.Cl.F.F
InChIInChI=1S/5C2H5.5CH3.6Al.BrH.4ClH.2FH.8H/c5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1H2,2H3;5*1H3;;;;;;;7*1H;;;;;;;;
InChIKeyNADLPNATFQOWRZ-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.21
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

chloroalumane;diethylalumane
CID 175561518
diethylalumane;hydrate;hydrochloride
CID 174360509
ethylalumane;tetrahydrochloride
CID 174489034
alumane;ethylalumane
CID 173413835
ethylalumane;phosphane
CID 175444447
diethylalumane;propanal
CID 175128866
diethylalumane;formamide
CID 175514396
ethyl(hexyl)alumane
CID 154349327
dodecylalumane;dihydrobromide
CID 174323445
dodecylalumane;dihydrochloride
CID 174558793
dioctylalumane;hexylalumane
CID 175046144
N,N-dimethylmethanamine;ethylalumane;molecular hydrogen
CID 175256589

Frequently Asked Questions

What is the IUPAC name of bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride?
The IUPAC name of bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride (CID 174808729) is bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride.
What is the SMILES notation for bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride?
The canonical SMILES for bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride is Br.CC[AlH2].CC[AlH]CC.CC[AlH]CC.C[AlH2].C[AlH]C.C[AlH]C.Cl.Cl.Cl.Cl.F.F.
What is the InChIKey of bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride?
The InChIKey is NADLPNATFQOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C2H5.5CH3.6Al.BrH.4ClH.2FH.8H/c5*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1H2,2H3;5*1H3;;;;;;;7*1H;;;;;;;;.
What are the key properties of bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride?
bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride has a molecular weight of 657.21 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylalumane);bis(dimethylalumane);ethylalumane;methylalumane;hydrobromide;tetrahydrochloride;dihydrofluoride is sourced from PubChem (CID 174808729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).