(1R,5R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-ene

• ChemBase编号: 185390
• 分子式: C19H26O
• 平均质量: 270.40914
• 单一同位素质量: 270.19836545
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)CCc1ccccc1)C)C)C
• Canonical SMILES: CC1=CC(C)[C@@H]2C([C@H]1C(OC2)CCc1ccccc1)C
• InChI: InChI=1S/C19H26O/c1-13-11-14(2)19-15(3)17(13)12-20-18(19)10-9-16-7-5-4-6-8-16/h4-8,11,13,15,17-19H,9-10,12H2,1-3H3/t13?,15?,17-,18?,19+/m1/s1
• InChIKey: UVNGGCOBGXQNNU-ZZUIQXLDSA-N

名称和登记号

名称

• IUPAC标准名: (1R,5R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-ene
• IUPAC传统名: (1R,5R)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-ene

登记号

• PubChem SID: 164241300
• PubChem CID: 16396273

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.658652
• LogD (pH = 7.4): 4.658652
• Log P: 4.658652
• 摩尔折射率: 85.0311 cm^3
• 极化性: 33.238354 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 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