bis(2-methylpropyl)-oct-1-enylalumane

C16H33Al — CID 73308429

IUPACbis(2-methylpropyl)-oct-1-enylalumane
SMILESCCCCCCC=C[Al](CC(C)C)CC(C)C
InChIInChI=1S/C8H15.2C4H9.Al/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h1,3H,4-8H2,2H3;2*4H,1H2,2-3H3;
InChIKeyPIESZSXGFKNZGH-UHFFFAOYSA-N
MW252.42 g/mol
LogP5.86
Rot. Bonds10

About bis(2-methylpropyl)-oct-1-enylalumane

bis(2-methylpropyl)-oct-1-enylalumane (PubChem CID 73308429) has the molecular formula C16H33Al and a molecular weight of 252.42 g/mol. Its IUPAC name is bis(2-methylpropyl)-oct-1-enylalumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-oct-1-enylalumane
PubChem CID73308429
Molecular FormulaC16H33Al
Molecular Weight252.42 g/mol
Exact Mass252.24
IUPAC Namebis(2-methylpropyl)-oct-1-enylalumane
SMILESCCCCCCC=C[Al](CC(C)C)CC(C)C
InChIInChI=1S/C8H15.2C4H9.Al/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h1,3H,4-8H2,2H3;2*4H,1H2,2-3H3;
InChIKeyPIESZSXGFKNZGH-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.42
LogP ≤ 55.86
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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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-oct-1-enylalumane?
The IUPAC name of bis(2-methylpropyl)-oct-1-enylalumane (CID 73308429) is bis(2-methylpropyl)-oct-1-enylalumane.
What is the SMILES notation for bis(2-methylpropyl)-oct-1-enylalumane?
The canonical SMILES for bis(2-methylpropyl)-oct-1-enylalumane is CCCCCCC=C[Al](CC(C)C)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)-oct-1-enylalumane?
The InChIKey is PIESZSXGFKNZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.2C4H9.Al/c1-3-5-7-8-6-4-2;2*1-4(2)3;/h1,3H,4-8H2,2H3;2*4H,1H2,2-3H3;.
What are the key properties of bis(2-methylpropyl)-oct-1-enylalumane?
bis(2-methylpropyl)-oct-1-enylalumane has a molecular weight of 252.42 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-oct-1-enylalumane is sourced from PubChem (CID 73308429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).