bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane

C22H51Al5 — CID 140585882

IUPACbis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane
SMILESCC[Al](CC)CC[Al](CC)CC[Al](CC)CC[Al](CC)CC[Al](CC)CC
InChIInChI=1S/7C2H5.4C2H4.5Al/c11*1-2;;;;;/h7*1H2,2H3;4*1-2H2;;;;;
InChIKeyPDMAXKFLYPOVPK-UHFFFAOYSA-N
MW450.56 g/mol
LogP8.60
Rot. Bonds19

About bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane

bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane (PubChem CID 140585882) has the molecular formula C22H51Al5 and a molecular weight of 450.56 g/mol. Its IUPAC name is bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane.

Molecular Properties

Compound Namebis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane
PubChem CID140585882
Molecular FormulaC22H51Al5
Molecular Weight450.56 g/mol
Exact Mass450.31
IUPAC Namebis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane
SMILESCC[Al](CC)CC[Al](CC)CC[Al](CC)CC[Al](CC)CC[Al](CC)CC
InChIInChI=1S/7C2H5.4C2H4.5Al/c11*1-2;;;;;/h7*1H2,2H3;4*1-2H2;;;;;
InChIKeyPDMAXKFLYPOVPK-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane?
The IUPAC name of bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane (CID 140585882) is bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane.
What is the SMILES notation for bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane?
The canonical SMILES for bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane is CC[Al](CC)CC[Al](CC)CC[Al](CC)CC[Al](CC)CC[Al](CC)CC.
What is the InChIKey of bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane?
The InChIKey is PDMAXKFLYPOVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/7C2H5.4C2H4.5Al/c11*1-2;;;;;/h7*1H2,2H3;4*1-2H2;;;;;.
What are the key properties of bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane?
bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane has a molecular weight of 450.56 g/mol, XLogP of 8.60, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-diethylalumanylethyl(ethyl)alumanyl]ethyl]-ethylalumane is sourced from PubChem (CID 140585882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).