(10E)-hexadec-10-enal

• ChemBase编号: 169911
• 分子式: C16H30O
• 平均质量: 238.4088
• 单一同位素质量: 238.22966558
• SMILES: C(CCC/C=C/CCCCCCCCC=O)C
• Canonical SMILES: CCCCC/C=C/CCCCCCCCC=O
• InChI: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,16H,2-5,8-15H2,1H3/b7-6+
• InChIKey: NBLCOWKIHZCSCF-VOTSOKGWSA-N

名称和登记号

名称

• IUPAC标准名: (10E)-hexadec-10-enal
• IUPAC传统名: (10E)-hexadec-10-enal
• 别名: (10E)-10-Hexadecenal; (E)-10-Hexadecenal

登记号

• CAS号: 72698-30-7
• PubChem SID: 162264043
• PubChem CID: 6430155

理论计算性质

• Acid pKa: 15.555514
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.736045
• LogD (pH = 7.4): 5.736045
• Log P: 5.736045
• 摩尔折射率: 77.2748 cm^3
• 极化性: 30.076256 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - H293670

(E)-10-Hexadecenal is an aliphatic aldehyde that has been identified as a sex pheromone component of the yellow peach moth, Dichocrocis punctiferalis Guenee.

参考文献

• Konno, Y. et al.: Appl. Entomol. Zool., 17, 207 (1982)
• Xiao, W. et al.: Appl. Entomol. Zool., 45, 449 (1982)