2-ethylhexyl octyl phenyl phosphite

• ChemBase编号: 109111
• 分子式: C22H39O3P
• 平均质量: 382.517021
• 单一同位素质量: 382.26368174
• SMILES: CCCCCCCCOP(OCC(CC)CCCC)Oc1ccccc1
• Canonical SMILES: CCCCCCCCOP(Oc1ccccc1)OCC(CCCC)CC
• InChI: InChI=1S/C22H39O3P/c1-4-7-9-10-11-15-19-23-26(25-22-17-13-12-14-18-22)24-20-21(6-3)16-8-5-2/h12-14,17-18,21H,4-11,15-16,19-20H2,1-3H3
• InChIKey: ZIXVBDFLJANKCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethylhexyl octyl phenyl phosphite
• IUPAC传统名: 2-ethylhexyl octyl phenyl phosphite
• 别名: 2-ETHYLHEXYL OCTYLPHENYLPHOSPHITE

登记号

• CAS号: 7346-61-4
• PubChem SID: 162096085
• PubChem CID: 110970

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.179299
• LogD (pH = 7.4): 8.1793
• Log P: 8.1793
• 摩尔折射率: 112.1801 cm^3
• 极化性: 44.574368 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05209888

MP Biomedicals Rare Chemical collection