(9R)-6,8,9-trimethyl-3-oxaspiro[bicyclo[3.3.1]nonane-2,1'-cyclopentan]-7-ene

• ChemBase编号: 183940
• 分子式: C15H24O
• 平均质量: 220.35046
• 单一同位素质量: 220.18271539
• SMILES: C1(=CC(C2[C@H](C1C1(OC2)CCCC1)C)C)C
• Canonical SMILES: CC1=CC(C)C2[C@H](C1C1(CCCC1)OC2)C
• InChI: InChI=1S/C15H24O/c1-10-8-11(2)14-12(3)13(10)9-16-15(14)6-4-5-7-15/h8,10,12-14H,4-7,9H2,1-3H3/t10?,12-,13?,14?/m1/s1
• InChIKey: NKUWHELGEMRMLF-RXNIXYOGSA-N

名称和登记号

名称

• IUPAC标准名: (9R)-6,8,9-trimethyl-3-oxaspiro[bicyclo[3.3.1]nonane-2,1'-cyclopentan]-7-ene
• IUPAC传统名: (9R)-6,8,9-trimethyl-3-oxaspiro[bicyclo[3.3.1]nonane-2,1'-cyclopentan]-7-ene

登记号

• PubChem SID: 164239850
• PubChem CID: 16395843

理论计算性质

• LogD (pH = 7.4): 3.4196525
• Log P: 3.4196525
• 摩尔折射率: 67.6951 cm^3
• 极化性: 26.638624 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4196525

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds