docos-13-en-1-yl acetate

• ChemBase ID: 104972
• Molecular Formular: C24H46O2
• Molecular Mass: 366.62084
• Monoisotopic Mass: 366.34978071
• SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)C
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C24H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h10-11H,3-9,12-23H2,1-2H3
• InChIKey: DFNNQVPOKYHPKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docos-13-en-1-yl acetate
• IUPAC Traditional name: docos-13-en-1-yl acetate
• Synonyms: ERUCYL ACETATE

Database IDs

• CAS Number: 103213-57-6
• PubChem SID: 162093077
• PubChem CID: 19833583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.886762
• LogD (pH = 7.4): 8.886762
• Log P: 8.886762
• Molar Refractivity: 115.221 cm^3
• Polarizability: 45.50164 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02157938

Purity: 99%