dihexylalumane;hydrochloride

C12H28AlCl — CID 175022158

IUPACdihexylalumane;hydrochloride
SMILESCCCCCC[AlH]CCCCCC.Cl
InChIInChI=1S/2C6H13.Al.ClH.H/c2*1-3-5-6-4-2;;;/h2*1,3-6H2,2H3;;1H;
InChIKeyWHHARCOGGXCOHH-UHFFFAOYSA-N
MW234.79 g/mol
LogP4.84
Rot. Bonds10

About dihexylalumane;hydrochloride

dihexylalumane;hydrochloride (PubChem CID 175022158) has the molecular formula C12H28AlCl and a molecular weight of 234.79 g/mol. Its IUPAC name is dihexylalumane;hydrochloride.

Molecular Properties

Compound Namedihexylalumane;hydrochloride
PubChem CID175022158
Molecular FormulaC12H28AlCl
Molecular Weight234.79 g/mol
Exact Mass234.17
IUPAC Namedihexylalumane;hydrochloride
SMILESCCCCCC[AlH]CCCCCC.Cl
InChIInChI=1S/2C6H13.Al.ClH.H/c2*1-3-5-6-4-2;;;/h2*1,3-6H2,2H3;;1H;
InChIKeyWHHARCOGGXCOHH-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.79
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl(hexyl)alumane
CID 154349327
dioctylalumane;hexylalumane
CID 175046144
dihexylalumane;N-octyloctan-1-amine
CID 173450934
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
heptane;phosphane;trihydrochloride
CID 175501735

Frequently Asked Questions

What is the IUPAC name of dihexylalumane;hydrochloride?
The IUPAC name of dihexylalumane;hydrochloride (CID 175022158) is dihexylalumane;hydrochloride.
What is the SMILES notation for dihexylalumane;hydrochloride?
The canonical SMILES for dihexylalumane;hydrochloride is CCCCCC[AlH]CCCCCC.Cl.
What is the InChIKey of dihexylalumane;hydrochloride?
The InChIKey is WHHARCOGGXCOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.Al.ClH.H/c2*1-3-5-6-4-2;;;/h2*1,3-6H2,2H3;;1H;.
What are the key properties of dihexylalumane;hydrochloride?
dihexylalumane;hydrochloride has a molecular weight of 234.79 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexylalumane;hydrochloride is sourced from PubChem (CID 175022158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).