butoxy(diethyl)alumane

C8H19AlO — CID 16710546

IUPACbutoxy(diethyl)alumane
SMILESCCCCO[Al](CC)CC
InChIInChI=1S/C4H9O.2C2H5.Al/c1-2-3-4-5;2*1-2;/h2-4H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyYLYNVLJAZMTTIQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.83
Rot. Bonds6

About butoxy(diethyl)alumane

butoxy(diethyl)alumane (PubChem CID 16710546) has the molecular formula C8H19AlO and a molecular weight of 158.22 g/mol. Its IUPAC name is butoxy(diethyl)alumane.

Molecular Properties

Compound Namebutoxy(diethyl)alumane
PubChem CID16710546
Molecular FormulaC8H19AlO
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Namebutoxy(diethyl)alumane
SMILESCCCCO[Al](CC)CC
InChIInChI=1S/C4H9O.2C2H5.Al/c1-2-3-4-5;2*1-2;/h2-4H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyYLYNVLJAZMTTIQ-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 butoxy(diethyl)alumane?
The IUPAC name of butoxy(diethyl)alumane (CID 16710546) is butoxy(diethyl)alumane.
What is the SMILES notation for butoxy(diethyl)alumane?
The canonical SMILES for butoxy(diethyl)alumane is CCCCO[Al](CC)CC.
What is the InChIKey of butoxy(diethyl)alumane?
The InChIKey is YLYNVLJAZMTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C2H5.Al/c1-2-3-4-5;2*1-2;/h2-4H2,1H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of butoxy(diethyl)alumane?
butoxy(diethyl)alumane has a molecular weight of 158.22 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(diethyl)alumane is sourced from PubChem (CID 16710546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).