hex-1-enyl-bis(2-methylpropyl)alumane

C14H29Al — CID 71435869

IUPAChex-1-enyl-bis(2-methylpropyl)alumane
SMILESCCCCC=C[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H11.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h1,3H,4-6H2,2H3;2*4H,1H2,2-3H3;
InChIKeyAQVXMEQFGRWGIN-UHFFFAOYSA-N
MW224.37 g/mol
LogP5.08
Rot. Bonds8

About hex-1-enyl-bis(2-methylpropyl)alumane

hex-1-enyl-bis(2-methylpropyl)alumane (PubChem CID 71435869) has the molecular formula C14H29Al and a molecular weight of 224.37 g/mol. Its IUPAC name is hex-1-enyl-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Namehex-1-enyl-bis(2-methylpropyl)alumane
PubChem CID71435869
Molecular FormulaC14H29Al
Molecular Weight224.37 g/mol
Exact Mass224.21
IUPAC Namehex-1-enyl-bis(2-methylpropyl)alumane
SMILESCCCCC=C[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H11.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h1,3H,4-6H2,2H3;2*4H,1H2,2-3H3;
InChIKeyAQVXMEQFGRWGIN-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.37
LogP ≤ 55.08
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 hex-1-enyl-bis(2-methylpropyl)alumane?
The IUPAC name of hex-1-enyl-bis(2-methylpropyl)alumane (CID 71435869) is hex-1-enyl-bis(2-methylpropyl)alumane.
What is the SMILES notation for hex-1-enyl-bis(2-methylpropyl)alumane?
The canonical SMILES for hex-1-enyl-bis(2-methylpropyl)alumane is CCCCC=C[Al](CC(C)C)CC(C)C.
What is the InChIKey of hex-1-enyl-bis(2-methylpropyl)alumane?
The InChIKey is AQVXMEQFGRWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h1,3H,4-6H2,2H3;2*4H,1H2,2-3H3;.
What are the key properties of hex-1-enyl-bis(2-methylpropyl)alumane?
hex-1-enyl-bis(2-methylpropyl)alumane has a molecular weight of 224.37 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-enyl-bis(2-methylpropyl)alumane is sourced from PubChem (CID 71435869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).