dipropylalumanylium;hexane;hydride

C12H29Al — CID 175456886

IUPACdipropylalumanylium;hexane;hydride
SMILESCCCCCC.CCC[Al+]CCC.[H-]
InChIInChI=1S/C6H14.2C3H7.Al.H/c1-3-5-6-4-2;2*1-3-2;;/h3-6H2,1-2H3;2*1,3H2,2H3;;/q;;;+1;-1
InChIKeyIPUTXGVKFLRRAY-UHFFFAOYSA-N
MW200.35 g/mol
LogP5.05
Rot. Bonds7

About dipropylalumanylium;hexane;hydride

dipropylalumanylium;hexane;hydride (PubChem CID 175456886) has the molecular formula C12H29Al and a molecular weight of 200.35 g/mol. Its IUPAC name is dipropylalumanylium;hexane;hydride.

Molecular Properties

Compound Namedipropylalumanylium;hexane;hydride
PubChem CID175456886
Molecular FormulaC12H29Al
Molecular Weight200.35 g/mol
Exact Mass200.21
IUPAC Namedipropylalumanylium;hexane;hydride
SMILESCCCCCC.CCC[Al+]CCC.[H-]
InChIInChI=1S/C6H14.2C3H7.Al.H/c1-3-5-6-4-2;2*1-3-2;;/h3-6H2,1-2H3;2*1,3H2,2H3;;/q;;;+1;-1
InChIKeyIPUTXGVKFLRRAY-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.35
LogP ≤ 55.05
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

dipropylalumanylium chloride
CID 16683948
magnesium;hexane;hydride
CID 173107039
tetralithium;hexane;hydride
CID 174784043
beryllium;hexane;hydride
CID 173045264
ethene;undecane
CID 161157037
sodium;octakis(decane);hydride
CID 173398930
sodium;hydride;tridecane
CID 172995973
lithium;dodecane;hydride
CID 173115706
trilithium;hydride;icosane
CID 173415382
calcium;hydride;octane
CID 173403164
hexane;tungsten
CID 162105258
azane;hexane
CID 18428977

Frequently Asked Questions

What is the IUPAC name of dipropylalumanylium;hexane;hydride?
The IUPAC name of dipropylalumanylium;hexane;hydride (CID 175456886) is dipropylalumanylium;hexane;hydride.
What is the SMILES notation for dipropylalumanylium;hexane;hydride?
The canonical SMILES for dipropylalumanylium;hexane;hydride is CCCCCC.CCC[Al+]CCC.[H-].
What is the InChIKey of dipropylalumanylium;hexane;hydride?
The InChIKey is IPUTXGVKFLRRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C3H7.Al.H/c1-3-5-6-4-2;2*1-3-2;;/h3-6H2,1-2H3;2*1,3H2,2H3;;/q;;;+1;-1.
What are the key properties of dipropylalumanylium;hexane;hydride?
dipropylalumanylium;hexane;hydride has a molecular weight of 200.35 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylalumanylium;hexane;hydride is sourced from PubChem (CID 175456886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).