tetradec-7-en-1-yl acetate

• ChemBase ID: 104680
• Molecular Formular: C16H30O2
• Molecular Mass: 254.4082
• Monoisotopic Mass: 254.2245802
• SMILES: CCCCCC/C=C/CCCCCCOC(=O)C
• Canonical SMILES: CCCCCC/C=C/CCCCCCOC(=O)C
• InChI: InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h8-9H,3-7,10-15H2,1-2H3
• InChIKey: UEZQOSGCHCNWOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradec-7-en-1-yl acetate
• IUPAC Traditional name: tetradec-7-en-1-yl acetate
• Synonyms: Z-7-TETRADECEN-1-YL ACETATE

Database IDs

• CAS Number: 16974-10-0
• PubChem SID: 162091710
• PubChem CID: 5363528

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.330212
• LogD (pH = 7.4): 5.330212
• Log P: 5.330212
• Molar Refractivity: 78.413 cm^3
• Polarizability: 30.735579 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 96%

DETAILS

MP Biomedicals - 02156781

(Z-7-TDA)
Purity: 96%
Pheromone for Autographa california.