oct-7-enyl(dioctyl)alumane

C24H49Al — CID 164808978

IUPACoct-7-enyl(dioctyl)alumane
SMILESC=CCCCCCC[Al](CCCCCCCC)CCCCCCCC
InChIInChI=1S/2C8H17.C8H15.Al/c3*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;3H,1-2,4-8H2;
InChIKeyJQHZPCNTMCGDRG-UHFFFAOYSA-N
MW364.64 g/mol
LogP9.34
Rot. Bonds21

About oct-7-enyl(dioctyl)alumane

oct-7-enyl(dioctyl)alumane (PubChem CID 164808978) has the molecular formula C24H49Al and a molecular weight of 364.64 g/mol. Its IUPAC name is oct-7-enyl(dioctyl)alumane.

Molecular Properties

Compound Nameoct-7-enyl(dioctyl)alumane
PubChem CID164808978
Molecular FormulaC24H49Al
Molecular Weight364.64 g/mol
Exact Mass364.36
IUPAC Nameoct-7-enyl(dioctyl)alumane
SMILESC=CCCCCCC[Al](CCCCCCCC)CCCCCCCC
InChIInChI=1S/2C8H17.C8H15.Al/c3*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;3H,1-2,4-8H2;
InChIKeyJQHZPCNTMCGDRG-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.64
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
bis(dec-9-enyl)-ethylalumane
CID 140941033
oct-1-ene;hydrobromide
CID 88838560
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238

Frequently Asked Questions

What is the IUPAC name of oct-7-enyl(dioctyl)alumane?
The IUPAC name of oct-7-enyl(dioctyl)alumane (CID 164808978) is oct-7-enyl(dioctyl)alumane.
What is the SMILES notation for oct-7-enyl(dioctyl)alumane?
The canonical SMILES for oct-7-enyl(dioctyl)alumane is C=CCCCCCC[Al](CCCCCCCC)CCCCCCCC.
What is the InChIKey of oct-7-enyl(dioctyl)alumane?
The InChIKey is JQHZPCNTMCGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.C8H15.Al/c3*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;3H,1-2,4-8H2;.
What are the key properties of oct-7-enyl(dioctyl)alumane?
oct-7-enyl(dioctyl)alumane has a molecular weight of 364.64 g/mol, XLogP of 9.34, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-enyl(dioctyl)alumane is sourced from PubChem (CID 164808978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).