N-[1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]hydroxylamine

• ChemBase编号: 87018
• 分子式: C16H23NO
• 平均质量: 245.35992
• 单一同位素质量: 245.17796436
• SMILES: N(=C(\c1cc2c(cc1)C(C)(C)CCC2(C)C)/C)/O
• Canonical SMILES: O/N=C(/c1ccc2c(c1)C(C)(C)CCC2(C)C)\C
• InChI: InChI=1S/C16H23NO/c1-11(17-18)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10,18H,8-9H2,1-5H3
• InChIKey: GTSIYLVKCYDJHQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethylidene]hydroxylamine
• IUPAC传统名: N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
• 别名: 1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one oxime

登记号

• CAS号: 175278-31-6
• MDL号: MFCD00221459
• PubChem SID: 162074134
• PubChem CID: 9581191

理论计算性质

• Acid pKa: 9.48256
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.164588
• LogD (pH = 7.4): 4.163172
• Log P: 4.16676
• 摩尔折射率: 75.8121 cm^3
• 极化性: 29.280727 Å^3
• 极化表面积: 32.59 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true