tert-butyl(2-methylpropyl)alumane

C8H19Al — CID 135050720

IUPACtert-butyl(2-methylpropyl)alumane
SMILESCC(C)C[AlH]C(C)(C)C
InChIInChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h1-3H3;4H,1H2,2-3H3;;
InChIKeyBYOCXUFCEOGTSS-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.72
Rot. Bonds2

About tert-butyl(2-methylpropyl)alumane

tert-butyl(2-methylpropyl)alumane (PubChem CID 135050720) has the molecular formula C8H19Al and a molecular weight of 142.22 g/mol. Its IUPAC name is tert-butyl(2-methylpropyl)alumane.

Molecular Properties

Compound Nametert-butyl(2-methylpropyl)alumane
PubChem CID135050720
Molecular FormulaC8H19Al
Molecular Weight142.22 g/mol
Exact Mass142.13
IUPAC Nametert-butyl(2-methylpropyl)alumane
SMILESCC(C)C[AlH]C(C)(C)C
InChIInChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h1-3H3;4H,1H2,2-3H3;;
InChIKeyBYOCXUFCEOGTSS-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-methylpropyl)alumane?
The IUPAC name of tert-butyl(2-methylpropyl)alumane (CID 135050720) is tert-butyl(2-methylpropyl)alumane.
What is the SMILES notation for tert-butyl(2-methylpropyl)alumane?
The canonical SMILES for tert-butyl(2-methylpropyl)alumane is CC(C)C[AlH]C(C)(C)C.
What is the InChIKey of tert-butyl(2-methylpropyl)alumane?
The InChIKey is BYOCXUFCEOGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h1-3H3;4H,1H2,2-3H3;;.
What are the key properties of tert-butyl(2-methylpropyl)alumane?
tert-butyl(2-methylpropyl)alumane has a molecular weight of 142.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-methylpropyl)alumane is sourced from PubChem (CID 135050720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).