(E)-N-[(5Z)-8-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine

• ChemBase编号: 181655
• 分子式: C23H39NO
• 平均质量: 345.56186
• 单一同位素质量: 345.30316487
• SMILES: C12(C(C(CCC2)(C)C)CCC(=C)C1CC/C(=C\CC/C(=N/O)/C)/C)C
• Canonical SMILES: O/N=C(/CC/C=C(\CCC1C(=C)CCC2C1(C)CCCC2(C)C)/C)\C
• InChI: InChI=1S/C23H39NO/c1-17(9-7-10-19(3)24-25)11-13-20-18(2)12-14-21-22(4,5)15-8-16-23(20,21)6/h9,20-21,25H,2,7-8,10-16H2,1,3-6H3/b17-9-,24-19+
• InChIKey: GKFSDTRKPOZJAE-IKPFQDODSA-N

名称和登记号

名称

• IUPAC标准名: (E)-N-[(5Z)-8-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine
• IUPAC传统名: (E)-N-[(5Z)-8-(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine

登记号

• PubChem SID: 164237565
• PubChem CID: 16395252

理论计算性质

• Acid pKa: 11.22578
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 6.3476233
• LogD (pH = 7.4): 6.348011
• Log P: 6.3480825
• 摩尔折射率: 108.5193 cm^3
• 极化性: 42.619854 Å^3
• 极化表面积: 32.59 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

产品相关信息

• 简要说明: Isomers
• 分类: Rare Derivatives of Natural Compounds