[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methanol

• ChemBase编号: 188421
• 分子式: C14H24O
• 平均质量: 208.33976
• 单一同位素质量: 208.18271539
• SMILES: C1(=CCC(C(C1)C)CO)CCC=C(C)C
• Canonical SMILES: OCC1CC=C(CC1C)CCC=C(C)C
• InChI: InChI=1S/C14H24O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7,12,14-15H,4,6,8-10H2,1-3H3
• InChIKey: CSMSCQLNNTZLGK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methanol
• IUPAC传统名: [6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methanol

登记号

• PubChem SID: 164244331
• PubChem CID: 5150974

理论计算性质

• Acid pKa: 18.035608
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.4238791
• LogD (pH = 7.4): 3.4238791
• Log P: 3.4238791
• 摩尔折射率: 67.7561 cm^3
• 极化性: 25.960133 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds