(1R,5R)-6,8,9-trimethyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene

• ChemBase编号: 185539
• 分子式: C18H28O
• 平均质量: 260.41432
• 单一同位素质量: 260.21401552
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)C1CC=C(CC1)C)C)C)C
• Canonical SMILES: CC1=CCC(CC1)C1OC[C@H]2C([C@@H]1C(=CC2C)C)C
• InChI: InChI=1S/C18H28O/c1-11-5-7-15(8-6-11)18-17-13(3)9-12(2)16(10-19-18)14(17)4/h5,9,12,14-18H,6-8,10H2,1-4H3/t12?,14?,15?,16-,17+,18?/m1/s1
• InChIKey: VTXVEGAHFHYVAS-KWWMICIPSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164241449
• PubChem CID: 16396328

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.196672
• LogD (pH = 7.4): 4.196672
• Log P: 4.196672
• 摩尔折射率: 82.2061 cm^3
• 极化性: 31.941336 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

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