tert-butyl-bis(2-methylpropyl)alumane

C12H27Al — CID 16696757

IUPACtert-butyl-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)C(C)(C)C
InChIInChI=1S/3C4H9.Al/c3*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;
InChIKeyNIYHZPWSMPCVTO-UHFFFAOYSA-N
MW198.33 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl-bis(2-methylpropyl)alumane

tert-butyl-bis(2-methylpropyl)alumane (PubChem CID 16696757) has the molecular formula C12H27Al and a molecular weight of 198.33 g/mol. Its IUPAC name is tert-butyl-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Nametert-butyl-bis(2-methylpropyl)alumane
PubChem CID16696757
Molecular FormulaC12H27Al
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Nametert-butyl-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)C(C)(C)C
InChIInChI=1S/3C4H9.Al/c3*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;
InChIKeyNIYHZPWSMPCVTO-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-bis(2-methylpropyl)alumane?
The IUPAC name of tert-butyl-bis(2-methylpropyl)alumane (CID 16696757) is tert-butyl-bis(2-methylpropyl)alumane.
What is the SMILES notation for tert-butyl-bis(2-methylpropyl)alumane?
The canonical SMILES for tert-butyl-bis(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-bis(2-methylpropyl)alumane?
The InChIKey is NIYHZPWSMPCVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Al/c3*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;.
What are the key properties of tert-butyl-bis(2-methylpropyl)alumane?
tert-butyl-bis(2-methylpropyl)alumane has a molecular weight of 198.33 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16696757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).