7-ethyl-2-methylnonan-4-one

• ChemBase编号: 109200
• 分子式: C12H24O
• 平均质量: 184.31836
• 单一同位素质量: 184.18271539
• SMILES: CCC(CC)CCC(=O)CC(C)C
• Canonical SMILES: CCC(CCC(=O)CC(C)C)CC
• InChI: InChI=1S/C12H24O/c1-5-11(6-2)7-8-12(13)9-10(3)4/h10-11H,5-9H2,1-4H3
• InChIKey: UBIMOXFYWOEJRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-ethyl-2-methylnonan-4-one
• IUPAC传统名: 7-ethyl-2-methylnonan-4-one
• 别名: 7-ETHYL-2-METHYL-4-NONANONE

登记号

• CAS号: 6628-29-1
• PubChem SID: 162096235
• PubChem CID: 246923

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.304233
• LogD (pH = 7.4): 4.304233
• Log P: 4.304233
• 摩尔折射率: 57.5508 cm^3
• 极化性: 22.924746 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05210191

MP Biomedicals Rare Chemical collection