hexacosyl acetate

• ChemBase ID: 153519
• Molecular Formular: C28H56O2
• Molecular Mass: 424.74304
• Monoisotopic Mass: 424.42803103
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C28H56O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-28(2)29/h3-27H2,1-2H3
• InChIKey: TXJQEFZXBSKQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexacosyl acetate
• IUPAC Traditional name: hexacosyl acetate
• Synonyms: Acetic acid hexacosyl ester; 1-Hexacosyl acetate; 乙酸二十六酯; 1-二十六基乙酸酯

Database IDs

• CAS Number: 822-32-2
• MDL Number: MFCD00057783
• PubChem SID: 24895504; 162247658
• PubChem CID: 3083648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 11.0269575
• LogD (pH = 7.4): 11.0269575
• Log P: 11.0269575
• Molar Refractivity: 132.5084 cm^3
• Polarizability: 53.121334 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Empirical Formula (Hill Notation): C28H56O2