bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane

C13H27Al — CID 16697557

IUPACbis(2-methylpropyl)-[(E)-pent-1-enyl]alumane
SMILESCCC/C=C/[Al](CC(C)C)CC(C)C
InChIInChI=1S/C5H9.2C4H9.Al/c1-3-5-4-2;2*1-4(2)3;/h1,3H,4-5H2,2H3;2*4H,1H2,2-3H3;
InChIKeyGJHRXVLRWDGVRA-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.69
Rot. Bonds7

About bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane

bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane (PubChem CID 16697557) has the molecular formula C13H27Al and a molecular weight of 210.34 g/mol. Its IUPAC name is bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-[(E)-pent-1-enyl]alumane
PubChem CID16697557
Molecular FormulaC13H27Al
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Namebis(2-methylpropyl)-[(E)-pent-1-enyl]alumane
SMILESCCC/C=C/[Al](CC(C)C)CC(C)C
InChIInChI=1S/C5H9.2C4H9.Al/c1-3-5-4-2;2*1-4(2)3;/h1,3H,4-5H2,2H3;2*4H,1H2,2-3H3;
InChIKeyGJHRXVLRWDGVRA-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane?
The IUPAC name of bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane (CID 16697557) is bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane.
What is the SMILES notation for bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane?
The canonical SMILES for bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane is CCC/C=C/[Al](CC(C)C)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane?
The InChIKey is GJHRXVLRWDGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9.2C4H9.Al/c1-3-5-4-2;2*1-4(2)3;/h1,3H,4-5H2,2H3;2*4H,1H2,2-3H3;.
What are the key properties of bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane?
bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane has a molecular weight of 210.34 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-[(E)-pent-1-enyl]alumane is sourced from PubChem (CID 16697557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).