(1R,4R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane

• ChemBase编号: 119301
• 分子式: C15H24O
• 平均质量: 220.35046
• 单一同位素质量: 220.18271539
• SMILES: [C@@]12(OC1CCC(=C)[C@@H]1[C@H](C(C1)(C)C)CC2)C
• Canonical SMILES: C=C1CCC2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C
• InChI: InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13?,15-/m1/s1
• InChIKey: NVEQFIOZRFFVFW-CZPDGURSSA-N

名称和登记号

名称

• IUPAC标准名: (1R,4R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^4,^6]dodecane
• IUPAC传统名: (1R,4R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^4,^6]dodecane
• 别名: (1R,4R,10S)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0(4,6)]dodecane

登记号

• PubChem SID: 162107860
• PubChem CID: 16394521

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.618528
• LogD (pH = 7.4): 3.618528
• Log P: 3.618528
• 摩尔折射率: 66.2129 cm^3
• 极化性: 26.638624 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Genuine Natural Compounds