bis(hexadecanoyloxy)alumanyl hexadecanoate

• ChemBase ID: 108208
• Molecular Formular: C48H93AlO6
• Molecular Mass: 793.229958
• Monoisotopic Mass: 792.67875433
• SMILES: CCCCCCCCCCCCCCCC(=O)O[Al](OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)O[Al](OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/3C16H32O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3
• InChIKey: PZWDHVKNXVLHOV-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(hexadecanoyloxy)alumanyl hexadecanoate
• IUPAC Traditional name: bis(hexadecanoyloxy)alumanyl hexadecanoate
• Synonyms: ALUMINUM PALMITATE

Database IDs

• CAS Number: 555-35-1
• EC Number: 209-093-4
• PubChem SID: 162093916
• PubChem CID: 16695414

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 17.4202
• LogD (pH = 7.4): 17.4202
• Log P: 17.4202
• Molar Refractivity: 228.468 cm^3
• Polarizability: 93.94701 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 48
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:15-17
• Safety Statements: S:7/8