2-methylpropoxy-bis(2-methylpropyl)alumane

C12H27AlO — CID 16705250

IUPAC2-methylpropoxy-bis(2-methylpropyl)alumane
SMILESCC(C)CO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-4(2)3-5;2*1-4(2)3;/h4H,3H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyICEQTWAHBIDMIH-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.96
Rot. Bonds7

About 2-methylpropoxy-bis(2-methylpropyl)alumane

2-methylpropoxy-bis(2-methylpropyl)alumane (PubChem CID 16705250) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methylpropoxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name2-methylpropoxy-bis(2-methylpropyl)alumane
PubChem CID16705250
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name2-methylpropoxy-bis(2-methylpropyl)alumane
SMILESCC(C)CO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-4(2)3-5;2*1-4(2)3;/h4H,3H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyICEQTWAHBIDMIH-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propanol, 2-methyl-, aluminum salt (3:1)
CID 165121
Diisopropyl(propan-2-olato)aluminium
CID 16683981
Ethoxydiisobutylaluminium
CID 16684015
Aluminum isobutylate
CID 16689601
Butoxybis(2-methylpropyl)alumane
CID 16694179
Diethylaluminum butoxide
CID 16710546
Diethylpropoxyaluminum
CID 85869655
Isobutylalumoxane
CID 87063602
(3-Ethoxypropyl)bis(2-methylpropyl)aluminum
CID 129686454
Diisobutylmethoxyaluminium
CID 16683935
Diisobutyl(3-propoxypropyl)aluminum
CID 129810132
Methyl-bis(2-methylpropoxy)alumane
CID 16689597

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxy-bis(2-methylpropyl)alumane?
The IUPAC name of 2-methylpropoxy-bis(2-methylpropyl)alumane (CID 16705250) is 2-methylpropoxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for 2-methylpropoxy-bis(2-methylpropyl)alumane?
The canonical SMILES for 2-methylpropoxy-bis(2-methylpropyl)alumane is CC(C)CO[Al](CC(C)C)CC(C)C.
What is the InChIKey of 2-methylpropoxy-bis(2-methylpropyl)alumane?
The InChIKey is ICEQTWAHBIDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H9.Al/c1-4(2)3-5;2*1-4(2)3;/h4H,3H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of 2-methylpropoxy-bis(2-methylpropyl)alumane?
2-methylpropoxy-bis(2-methylpropyl)alumane has a molecular weight of 214.33 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16705250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).