ditert-butylalumanylium;2-methylpropan-2-olate

C12H27AlO — CID 18400427

IUPACditert-butylalumanylium;2-methylpropan-2-olate
SMILESCC(C)(C)[Al+]C(C)(C)C.CC(C)(C)[O-]
InChIInChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*1-3H3;/q-1;;;+1
InChIKeySYLCOAAFMGOGEN-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.27
Rot. Bonds

About ditert-butylalumanylium;2-methylpropan-2-olate

ditert-butylalumanylium;2-methylpropan-2-olate (PubChem CID 18400427) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is ditert-butylalumanylium;2-methylpropan-2-olate.

Molecular Properties

Compound Nameditert-butylalumanylium;2-methylpropan-2-olate
PubChem CID18400427
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Nameditert-butylalumanylium;2-methylpropan-2-olate
SMILESCC(C)(C)[Al+]C(C)(C)C.CC(C)(C)[O-]
InChIInChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*1-3H3;/q-1;;;+1
InChIKeySYLCOAAFMGOGEN-UHFFFAOYSA-N
XLogP3.27
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ditert-butylalumanylium;2-methylpropan-2-olate?
The IUPAC name of ditert-butylalumanylium;2-methylpropan-2-olate (CID 18400427) is ditert-butylalumanylium;2-methylpropan-2-olate.
What is the SMILES notation for ditert-butylalumanylium;2-methylpropan-2-olate?
The canonical SMILES for ditert-butylalumanylium;2-methylpropan-2-olate is CC(C)(C)[Al+]C(C)(C)C.CC(C)(C)[O-].
What is the InChIKey of ditert-butylalumanylium;2-methylpropan-2-olate?
The InChIKey is SYLCOAAFMGOGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*1-3H3;/q-1;;;+1.
What are the key properties of ditert-butylalumanylium;2-methylpropan-2-olate?
ditert-butylalumanylium;2-methylpropan-2-olate has a molecular weight of 214.33 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylalumanylium;2-methylpropan-2-olate is sourced from PubChem (CID 18400427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).