[(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane

C23H49AlOSi — CID 134990873

IUPAC[(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane
SMILESCCCCC(C)(C/C=C/[Al](CC(C)C)CC(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C15H31OSi.2C4H9.Al/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;2*1-4(2)3;/h2,8H,7,9-14H2,1,3-6H3;2*4H,1H2,2-3H3;
InChIKeyVAEJPUDILLZCCU-UHFFFAOYSA-N
MW396.71 g/mol
LogP8.25
Rot. Bonds15

About [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane

[(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane (PubChem CID 134990873) has the molecular formula C23H49AlOSi and a molecular weight of 396.71 g/mol. Its IUPAC name is [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane
PubChem CID134990873
Molecular FormulaC23H49AlOSi
Molecular Weight396.71 g/mol
Exact Mass396.34
IUPAC Name[(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane
SMILESCCCCC(C)(C/C=C/[Al](CC(C)C)CC(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C15H31OSi.2C4H9.Al/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;2*1-4(2)3;/h2,8H,7,9-14H2,1,3-6H3;2*4H,1H2,2-3H3;
InChIKeyVAEJPUDILLZCCU-UHFFFAOYSA-N
XLogP8.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane?
The IUPAC name of [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane (CID 134990873) is [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane?
The canonical SMILES for [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane is CCCCC(C)(C/C=C/[Al](CC(C)C)CC(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane?
The InChIKey is VAEJPUDILLZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31OSi.2C4H9.Al/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;2*1-4(2)3;/h2,8H,7,9-14H2,1,3-6H3;2*4H,1H2,2-3H3;.
What are the key properties of [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane?
[(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane has a molecular weight of 396.71 g/mol, XLogP of 8.25, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[bis(2-methylpropyl)alumanyl]-4-methyloct-1-en-4-yl]oxy-triethylsilane is sourced from PubChem (CID 134990873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).