tris(2-methylidenebut-3-enyl)alumane

C15H21Al — CID 16688714

IUPACtris(2-methylidenebut-3-enyl)alumane
SMILESC=CC(=C)C[Al](CC(=C)C=C)CC(=C)C=C
InChIInChI=1S/3C5H7.Al/c3*1-4-5(2)3;/h3*4H,1-3H2;
InChIKeyAHWROQLUYDFYOD-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.71
Rot. Bonds9

About tris(2-methylidenebut-3-enyl)alumane

tris(2-methylidenebut-3-enyl)alumane (PubChem CID 16688714) has the molecular formula C15H21Al and a molecular weight of 228.31 g/mol. Its IUPAC name is tris(2-methylidenebut-3-enyl)alumane.

Molecular Properties

Compound Nametris(2-methylidenebut-3-enyl)alumane
PubChem CID16688714
Molecular FormulaC15H21Al
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Nametris(2-methylidenebut-3-enyl)alumane
SMILESC=CC(=C)C[Al](CC(=C)C=C)CC(=C)C=C
InChIInChI=1S/3C5H7.Al/c3*1-4-5(2)3;/h3*4H,1-3H2;
InChIKeyAHWROQLUYDFYOD-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.71
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 tris(2-methylidenebut-3-enyl)alumane?
The IUPAC name of tris(2-methylidenebut-3-enyl)alumane (CID 16688714) is tris(2-methylidenebut-3-enyl)alumane.
What is the SMILES notation for tris(2-methylidenebut-3-enyl)alumane?
The canonical SMILES for tris(2-methylidenebut-3-enyl)alumane is C=CC(=C)C[Al](CC(=C)C=C)CC(=C)C=C.
What is the InChIKey of tris(2-methylidenebut-3-enyl)alumane?
The InChIKey is AHWROQLUYDFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7.Al/c3*1-4-5(2)3;/h3*4H,1-3H2;.
What are the key properties of tris(2-methylidenebut-3-enyl)alumane?
tris(2-methylidenebut-3-enyl)alumane has a molecular weight of 228.31 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylidenebut-3-enyl)alumane is sourced from PubChem (CID 16688714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).