dodecylalumane;dihydrochloride

C12H29AlCl2 — CID 174558793

IUPACdodecylalumane;dihydrochloride
SMILESCCCCCCCCCCCC[AlH2].Cl.Cl
InChIInChI=1S/C12H25.Al.2ClH.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;;/h1,3-12H2,2H3;;2*1H;;
InChIKeyCXEJURFOFHKXCD-UHFFFAOYSA-N
MW271.25 g/mol
LogP4.80
Rot. Bonds10

About dodecylalumane;dihydrochloride

dodecylalumane;dihydrochloride (PubChem CID 174558793) has the molecular formula C12H29AlCl2 and a molecular weight of 271.25 g/mol. Its IUPAC name is dodecylalumane;dihydrochloride.

Molecular Properties

Compound Namedodecylalumane;dihydrochloride
PubChem CID174558793
Molecular FormulaC12H29AlCl2
Molecular Weight271.25 g/mol
Exact Mass270.15
IUPAC Namedodecylalumane;dihydrochloride
SMILESCCCCCCCCCCCC[AlH2].Cl.Cl
InChIInChI=1S/C12H25.Al.2ClH.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;;/h1,3-12H2,2H3;;2*1H;;
InChIKeyCXEJURFOFHKXCD-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 54.80
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

dodecylalumane;dihydrobromide
CID 174323445
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
dioctylalumane;hexylalumane
CID 175046144
calcium;hydride;octane
CID 173403164
heptane;phosphane;trihydrochloride
CID 175501735
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119

Frequently Asked Questions

What is the IUPAC name of dodecylalumane;dihydrochloride?
The IUPAC name of dodecylalumane;dihydrochloride (CID 174558793) is dodecylalumane;dihydrochloride.
What is the SMILES notation for dodecylalumane;dihydrochloride?
The canonical SMILES for dodecylalumane;dihydrochloride is CCCCCCCCCCCC[AlH2].Cl.Cl.
What is the InChIKey of dodecylalumane;dihydrochloride?
The InChIKey is CXEJURFOFHKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Al.2ClH.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;;/h1,3-12H2,2H3;;2*1H;;.
What are the key properties of dodecylalumane;dihydrochloride?
dodecylalumane;dihydrochloride has a molecular weight of 271.25 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylalumane;dihydrochloride is sourced from PubChem (CID 174558793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).