bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate

C12H27AlO — CID 22480631

IUPACbis(2-methylpropyl)alumanylium;2-methylpropan-1-olate
SMILESCC(C)C[Al+]CC(C)C.CC(C)C[O-]
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
LogP2.84
Rot. Bonds5

About bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate

bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate (PubChem CID 22480631) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;2-methylpropan-1-olate
PubChem CID22480631
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Namebis(2-methylpropyl)alumanylium;2-methylpropan-1-olate
SMILESCC(C)C[Al+]CC(C)C.CC(C)C[O-]
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
XLogP2.84
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.84
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
Diisobutylaluminum isobutoxide
CID 16705250
(3-Ethoxypropyl)bis(2-methylpropyl)aluminum
CID 129686454
Diisobutylmethoxyaluminium
CID 16683935
Diisobutyl(3-propoxypropyl)aluminum
CID 129810132
(4-Ethoxybutyl)diisobutylaluminum
CID 129810165
Bis(2-methylpropyl)alumane;ethoxyethane
CID 134978815
Methyl-bis(2-methylpropoxy)alumane
CID 16689597

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate?
The IUPAC name of bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate (CID 22480631) is bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate?
The canonical SMILES for bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate is CC(C)C[Al+]CC(C)C.CC(C)C[O-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate?
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 bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate?
bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate has a molecular weight of 214.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate is sourced from PubChem (CID 22480631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).