dodec-11-en-1-yl acetate

• ChemBase ID: 103893
• Molecular Formular: C14H26O2
• Molecular Mass: 226.35504
• Monoisotopic Mass: 226.19328007
• SMILES: CC(=O)OCCCCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3H,1,4-13H2,2H3
• InChIKey: ANBOMSJGDBBKMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodec-11-en-1-yl acetate
• IUPAC Traditional name: dodec-11-en-1-yl acetate
• Synonyms: 11-DODECEN-1-YL ACETATE; 11-DODECEN-1-YL ACETATE; 乙酸11-十二碳烯酯

Database IDs

• CAS Number: 35153-10-7
• PubChem SID: 162091055
• PubChem CID: 520717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4990087
• LogD (pH = 7.4): 4.4990087
• Log P: 4.4990087
• Molar Refractivity: 68.1385 cm^3
• Polarizability: 27.045694 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

Product Information

• Purity: 92%

DETAILS

MP Biomedicals - 02153206

Purity: 92%
Pheromone for Red bollworm, tea tortrix moth.