dodecylalumane;dihydrobromide

C12H29AlBr2 — CID 174323445

IUPACdodecylalumane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC[AlH2]
InChIInChI=1S/C12H25.Al.2BrH.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;;/h1,3-12H2,2H3;;2*1H;;
InChIKeyHSPZBIHKRJDQPW-UHFFFAOYSA-N
MW360.15 g/mol
LogP5.11
Rot. Bonds10

About dodecylalumane;dihydrobromide

dodecylalumane;dihydrobromide (PubChem CID 174323445) has the molecular formula C12H29AlBr2 and a molecular weight of 360.15 g/mol. Its IUPAC name is dodecylalumane;dihydrobromide.

Molecular Properties

Compound Namedodecylalumane;dihydrobromide
PubChem CID174323445
Molecular FormulaC12H29AlBr2
Molecular Weight360.15 g/mol
Exact Mass358.05
IUPAC Namedodecylalumane;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC[AlH2]
InChIInChI=1S/C12H25.Al.2BrH.2H/c1-3-5-7-9-11-12-10-8-6-4-2;;;;;/h1,3-12H2,2H3;;2*1H;;
InChIKeyHSPZBIHKRJDQPW-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.15
LogP ≤ 55.11
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;dihydrochloride
CID 174558793
undecane;dihydrobromide
CID 172838591
dioctylalumane;hexylalumane
CID 175046144
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
calcium;hydride;octane
CID 173403164
tert-butyl(oxo)silane;octylalumane
CID 175223496
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexane;molybdenum
CID 162092649
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of dodecylalumane;dihydrobromide?
The IUPAC name of dodecylalumane;dihydrobromide (CID 174323445) is dodecylalumane;dihydrobromide.
What is the SMILES notation for dodecylalumane;dihydrobromide?
The canonical SMILES for dodecylalumane;dihydrobromide is Br.Br.CCCCCCCCCCCC[AlH2].
What is the InChIKey of dodecylalumane;dihydrobromide?
The InChIKey is HSPZBIHKRJDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Al.2BrH.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;dihydrobromide?
dodecylalumane;dihydrobromide has a molecular weight of 360.15 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylalumane;dihydrobromide is sourced from PubChem (CID 174323445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).