5-cyclohexylthiophene-2-carbaldehyde

• ChemBase编号: 306679
• 分子式: C11H14OS
• 平均质量: 194.29326
• 单一同位素质量: 194.07653607
• SMILES: s1c(ccc1C=O)C1CCCCC1
• Canonical SMILES: O=Cc1ccc(s1)C1CCCCC1
• InChI: InChI=1S/C11H14OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h6-9H,1-5H2
• InChIKey: PKJNSTIWWCVZRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-cyclohexylthiophene-2-carbaldehyde
• IUPAC传统名: 5-cyclohexylthiophene-2-carbaldehyde
• 别名: 5-cyclohexylthiophene-2-carbaldehyde

登记号

• CAS号: 915919-68-5
• MDL号: MFCD08059743

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.8460581
• LogD (pH = 7.4): 3.8460581
• Log P: 3.8460581
• 摩尔折射率: 55.5846 cm^3
• 极化性: 21.127028 Å^3
• 极化表面积: 17.07 Å^2