(butan-2-yloxy)bis(propan-2-yloxy)alumane

• ChemBase ID: 106796
• Molecular Formular: C10H23AlO3
• Molecular Mass: 218.269358
• Monoisotopic Mass: 218.14625823
• SMILES: CCC(C)O[Al](OC(C)C)OC(C)C
• Canonical SMILES: CCC(O[Al](OC(C)C)OC(C)C)C
• InChI: InChI=1S/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
• InChIKey: RDASHQZXQNLNMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yloxy)bis(propan-2-yloxy)alumane
• IUPAC Traditional name: diisopropoxy(sec-butoxy)alumane
• Synonyms: ALUMINUM mono-sec-BUTOXIDE DIISOPROPOXIDE

Database IDs

• CAS Number: 3605-65-0
• PubChem SID: 162094273
• PubChem CID: 16684111

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5605
• LogD (pH = 7.4): 3.5605
• Log P: 3.5605
• Molar Refractivity: 53.1669 cm^3
• Polarizability: 23.73791 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201443

MP Biomedicals Rare Chemical collection