tris(but-3-enyl)alumane

C12H21Al — CID 71365837

IUPACtris(but-3-enyl)alumane
SMILESC=CCC[Al](CCC=C)CCC=C
InChIInChI=1S/3C4H7.Al/c3*1-3-4-2;/h3*3H,1-2,4H2;
InChIKeyKYOZLPKCURERER-UHFFFAOYSA-N
MW192.28 g/mol
LogP4.21
Rot. Bonds9

About tris(but-3-enyl)alumane

tris(but-3-enyl)alumane (PubChem CID 71365837) has the molecular formula C12H21Al and a molecular weight of 192.28 g/mol. Its IUPAC name is tris(but-3-enyl)alumane.

Molecular Properties

Compound Nametris(but-3-enyl)alumane
PubChem CID71365837
Molecular FormulaC12H21Al
Molecular Weight192.28 g/mol
Exact Mass192.15
IUPAC Nametris(but-3-enyl)alumane
SMILESC=CCC[Al](CCC=C)CCC=C
InChIInChI=1S/3C4H7.Al/c3*1-3-4-2;/h3*3H,1-2,4H2;
InChIKeyKYOZLPKCURERER-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(but-3-enyl)alumane?
The IUPAC name of tris(but-3-enyl)alumane (CID 71365837) is tris(but-3-enyl)alumane.
What is the SMILES notation for tris(but-3-enyl)alumane?
The canonical SMILES for tris(but-3-enyl)alumane is C=CCC[Al](CCC=C)CCC=C.
What is the InChIKey of tris(but-3-enyl)alumane?
The InChIKey is KYOZLPKCURERER-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H7.Al/c3*1-3-4-2;/h3*3H,1-2,4H2;.
What are the key properties of tris(but-3-enyl)alumane?
tris(but-3-enyl)alumane has a molecular weight of 192.28 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(but-3-enyl)alumane is sourced from PubChem (CID 71365837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).