bis(2-methylpropyl)-propan-2-yloxyalumane

C11H25AlO — CID 16683981

IUPACbis(2-methylpropyl)-propan-2-yloxyalumane
SMILESCC(C)C[Al](CC(C)C)OC(C)C
InChIInChI=1S/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1
InChIKeyYFNGCPVGPCKWAL-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.71
Rot. Bonds6

About bis(2-methylpropyl)-propan-2-yloxyalumane

bis(2-methylpropyl)-propan-2-yloxyalumane (PubChem CID 16683981) has the molecular formula C11H25AlO and a molecular weight of 200.30 g/mol. Its IUPAC name is bis(2-methylpropyl)-propan-2-yloxyalumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-propan-2-yloxyalumane
PubChem CID16683981
Molecular FormulaC11H25AlO
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Namebis(2-methylpropyl)-propan-2-yloxyalumane
SMILESCC(C)C[Al](CC(C)C)OC(C)C
InChIInChI=1S/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1
InChIKeyYFNGCPVGPCKWAL-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-propan-2-yloxyalumane?
The IUPAC name of bis(2-methylpropyl)-propan-2-yloxyalumane (CID 16683981) is bis(2-methylpropyl)-propan-2-yloxyalumane.
What is the SMILES notation for bis(2-methylpropyl)-propan-2-yloxyalumane?
The canonical SMILES for bis(2-methylpropyl)-propan-2-yloxyalumane is CC(C)C[Al](CC(C)C)OC(C)C.
What is the InChIKey of bis(2-methylpropyl)-propan-2-yloxyalumane?
The InChIKey is YFNGCPVGPCKWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1.
What are the key properties of bis(2-methylpropyl)-propan-2-yloxyalumane?
bis(2-methylpropyl)-propan-2-yloxyalumane has a molecular weight of 200.30 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-propan-2-yloxyalumane is sourced from PubChem (CID 16683981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).