benzyl(diethyl)alumane

C11H17Al — CID 16703915

IUPACbenzyl(diethyl)alumane
SMILESCC[Al](CC)Cc1ccccc1
InChIInChI=1S/C7H7.2C2H5.Al/c1-7-5-3-2-4-6-7;2*1-2;/h2-6H,1H2;2*1H2,2H3;
InChIKeyLBKYCOGBBDATCR-UHFFFAOYSA-N
MW176.24 g/mol
LogP3.30
Rot. Bonds4

About benzyl(diethyl)alumane

benzyl(diethyl)alumane (PubChem CID 16703915) has the molecular formula C11H17Al and a molecular weight of 176.24 g/mol. Its IUPAC name is benzyl(diethyl)alumane.

Molecular Properties

Compound Namebenzyl(diethyl)alumane
PubChem CID16703915
Molecular FormulaC11H17Al
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Namebenzyl(diethyl)alumane
SMILESCC[Al](CC)Cc1ccccc1
InChIInChI=1S/C7H7.2C2H5.Al/c1-7-5-3-2-4-6-7;2*1-2;/h2-6H,1H2;2*1H2,2H3;
InChIKeyLBKYCOGBBDATCR-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzyl(diethyl)alumane?
The IUPAC name of benzyl(diethyl)alumane (CID 16703915) is benzyl(diethyl)alumane.
What is the SMILES notation for benzyl(diethyl)alumane?
The canonical SMILES for benzyl(diethyl)alumane is CC[Al](CC)Cc1ccccc1.
What is the InChIKey of benzyl(diethyl)alumane?
The InChIKey is LBKYCOGBBDATCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.2C2H5.Al/c1-7-5-3-2-4-6-7;2*1-2;/h2-6H,1H2;2*1H2,2H3;.
What are the key properties of benzyl(diethyl)alumane?
benzyl(diethyl)alumane has a molecular weight of 176.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diethyl)alumane is sourced from PubChem (CID 16703915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).