Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene

C13H26Al — CID 16684314

IUPAC—
SMILESC=CC(=C)C.CC(C)C[Al]CC(C)C
InChIInChI=1S/C5H8.2C4H9.Al/c1-4-5(2)3;2*1-4(2)3;/h4H,1-2H2,3H3;2*4H,1H2,2-3H3;
InChIKeyCFPNWHYBPRWKLC-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.59
Rot. Bonds5

About Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene

Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene (PubChem CID 16684314) has the molecular formula C13H26Al and a molecular weight of 209.33 g/mol.

Molecular Properties

Compound NameAluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene
PubChem CID16684314
Molecular FormulaC13H26Al
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name—
SMILESC=CC(=C)C.CC(C)C[Al]CC(C)C
InChIInChI=1S/C5H8.2C4H9.Al/c1-4-5(2)3;2*1-4(2)3;/h4H,1-2H2,3H3;2*4H,1H2,2-3H3;
InChIKeyCFPNWHYBPRWKLC-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene?
The IUPAC name of Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene (CID 16684314) is not available.
What is the SMILES notation for Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene?
The canonical SMILES for Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene is C=CC(=C)C.CC(C)C[Al]CC(C)C.
What is the InChIKey of Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene?
The InChIKey is CFPNWHYBPRWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.2C4H9.Al/c1-4-5(2)3;2*1-4(2)3;/h4H,1-2H2,3H3;2*4H,1H2,2-3H3;.
What are the key properties of Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene?
Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene has a molecular weight of 209.33 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Aluminum, hydrobis(2-methylpropyl)-, reaction products with isoprene is sourced from PubChem (CID 16684314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).