Aluminum tert-butoxide

Catalog Number	ACM556912-1
CAS	556-91-2
Structure
Synonyms	Tris(tert-butoxy) aluminum
IUPAC Name	Aluminum;2-methylpropan-2-olate
Molecular Weight	246.32
Molecular Formula	C12H27AlO3
Canonical SMILES	CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChI	InChI=1S/3C4H9O.Al/c31-4(2,3)5;/h31-3H3;/q3*-1;+3
InChI Key	MDDPTCUZZASZIQ-UHFFFAOYSA-N
Boiling Point	156 °C
Melting Point	241 °C
Flash Point	>65 °C
Purity	95%+
Density	1.0251 g/cm³
Solubility	Very soluble in organic solvents like alcohols, benzene, toluene and xylene
Appearance	Powder
Complexity	25.1
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
EC Number	209-146-1
Exact Mass	246.1775581
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	246.1775581
Rotatable Bond Count	0
Topological Polar Surface Area	69.2 Å²

Q&A

What is the PubChem CID of Aluminum tert-butoxide?

The PubChem CID of Aluminum tert-butoxide is 68399.

What is the molecular formula of Aluminum tert-butoxide?

The molecular formula of Aluminum tert-butoxide is C12H27AlO3.

What is the molecular weight of Aluminum tert-butoxide?

The molecular weight of Aluminum tert-butoxide is 246.32 g/mol.

What is the IUPAC name of Aluminum tert-butoxide?

The IUPAC name of Aluminum tert-butoxide is aluminum;2-methylpropan-2-olate.

What is the InChI of Aluminum tert-butoxide?

The InChI of Aluminum tert-butoxide is InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3.

What is the InChIKey of Aluminum tert-butoxide?

The InChIKey of Aluminum tert-butoxide is MDDPTCUZZASZIQ-UHFFFAOYSA-N.

What is the canonical SMILES of Aluminum tert-butoxide?

The canonical SMILES of Aluminum tert-butoxide is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3].

What is the CAS number of Aluminum tert-butoxide?

The CAS number of Aluminum tert-butoxide is 556-91-2.

How many hydrogen bond donor counts does Aluminum tert-butoxide have?

Aluminum tert-butoxide has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Aluminum tert-butoxide have?

Aluminum tert-butoxide has 3 hydrogen bond acceptor counts.

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