dec-5-en-1-yl acetate

• ChemBase ID: 103890
• Molecular Formular: C12H22O2
• Molecular Mass: 198.30188
• Monoisotopic Mass: 198.16197994
• SMILES: CCCC/C=C/CCCCOC(=O)C
• Canonical SMILES: CCCC/C=C/CCCCOC(=O)C
• InChI: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3
• InChIKey: VTUFOIHYMMMNOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-5-en-1-yl acetate
• IUPAC Traditional name: dec-5-en-1-yl acetate
• Synonyms: Anarsia lineatella; trans-5-Decenyl acetate; E-5-DECEN-1-YL ACETATE

Database IDs

• CAS Number: 38421-90-8
• EC Number: 253-923-8
• PubChem SID: 162091078
• PubChem CID: 5363095

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5519376
• LogD (pH = 7.4): 3.5519376
• Log P: 3.5519376
• Molar Refractivity: 60.009 cm^3
• Polarizability: 23.35703 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 02153197

Purity: 97%
Pheromone for Peach twig borer.