tris(pent-4-enyl)alumane

C15H27Al — CID 71365836

IUPACtris(pent-4-enyl)alumane
SMILESC=CCCC[Al](CCCC=C)CCCC=C
InChIInChI=1S/3C5H9.Al/c3*1-3-5-4-2;/h3*3H,1-2,4-5H2;
InChIKeyTZXFZYJPQYLXDS-UHFFFAOYSA-N
MW234.36 g/mol
LogP5.38
Rot. Bonds12

About tris(pent-4-enyl)alumane

tris(pent-4-enyl)alumane (PubChem CID 71365836) has the molecular formula C15H27Al and a molecular weight of 234.36 g/mol. Its IUPAC name is tris(pent-4-enyl)alumane.

Molecular Properties

Compound Nametris(pent-4-enyl)alumane
PubChem CID71365836
Molecular FormulaC15H27Al
Molecular Weight234.36 g/mol
Exact Mass234.19
IUPAC Nametris(pent-4-enyl)alumane
SMILESC=CCCC[Al](CCCC=C)CCCC=C
InChIInChI=1S/3C5H9.Al/c3*1-3-5-4-2;/h3*3H,1-2,4-5H2;
InChIKeyTZXFZYJPQYLXDS-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.36
LogP ≤ 55.38
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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Frequently Asked Questions

What is the IUPAC name of tris(pent-4-enyl)alumane?
The IUPAC name of tris(pent-4-enyl)alumane (CID 71365836) is tris(pent-4-enyl)alumane.
What is the SMILES notation for tris(pent-4-enyl)alumane?
The canonical SMILES for tris(pent-4-enyl)alumane is C=CCCC[Al](CCCC=C)CCCC=C.
What is the InChIKey of tris(pent-4-enyl)alumane?
The InChIKey is TZXFZYJPQYLXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H9.Al/c3*1-3-5-4-2;/h3*3H,1-2,4-5H2;.
What are the key properties of tris(pent-4-enyl)alumane?
tris(pent-4-enyl)alumane has a molecular weight of 234.36 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pent-4-enyl)alumane is sourced from PubChem (CID 71365836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).