diethyl(3-methylbutyl)alumane

C9H21Al — CID 71406704

IUPACdiethyl(3-methylbutyl)alumane
SMILESCC[Al](CC)CCC(C)C
InChIInChI=1S/C5H11.2C2H5.Al/c1-4-5(2)3;2*1-2;/h5H,1,4H2,2-3H3;2*1H2,2H3;
InChIKeyCZCINNGQOQLOGH-UHFFFAOYSA-N
MW156.25 g/mol
LogP3.57
Rot. Bonds5

About diethyl(3-methylbutyl)alumane

diethyl(3-methylbutyl)alumane (PubChem CID 71406704) has the molecular formula C9H21Al and a molecular weight of 156.25 g/mol. Its IUPAC name is diethyl(3-methylbutyl)alumane.

Molecular Properties

Compound Namediethyl(3-methylbutyl)alumane
PubChem CID71406704
Molecular FormulaC9H21Al
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Namediethyl(3-methylbutyl)alumane
SMILESCC[Al](CC)CCC(C)C
InChIInChI=1S/C5H11.2C2H5.Al/c1-4-5(2)3;2*1-2;/h5H,1,4H2,2-3H3;2*1H2,2H3;
InChIKeyCZCINNGQOQLOGH-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(7-methyloctyl)alumane
CID 156702571
2-methylpentane
CID 7892
triethylalumane trichloride
CID 21388875
bis(6-methylheptanoate);nickel(2+);triethylalumane
CID 175103404
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 18347292
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
8-methylnonyl-bis(2-methylpropyl)alumane
CID 173009634
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethane;methane;bis(2-methylpentane)
CID 142143156
methane;2-methylpentane;propane
CID 161026516

Frequently Asked Questions

What is the IUPAC name of diethyl(3-methylbutyl)alumane?
The IUPAC name of diethyl(3-methylbutyl)alumane (CID 71406704) is diethyl(3-methylbutyl)alumane.
What is the SMILES notation for diethyl(3-methylbutyl)alumane?
The canonical SMILES for diethyl(3-methylbutyl)alumane is CC[Al](CC)CCC(C)C.
What is the InChIKey of diethyl(3-methylbutyl)alumane?
The InChIKey is CZCINNGQOQLOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.2C2H5.Al/c1-4-5(2)3;2*1-2;/h5H,1,4H2,2-3H3;2*1H2,2H3;.
What are the key properties of diethyl(3-methylbutyl)alumane?
diethyl(3-methylbutyl)alumane has a molecular weight of 156.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(3-methylbutyl)alumane is sourced from PubChem (CID 71406704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).