(1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

• ChemBase编号: 188087
• 分子式: C15H24
• 平均质量: 204.35106
• 单一同位素质量: 204.18780077
• SMILES: [C@@H]12[C@@H](C(C1)(C)C)CCC(=CCCC2=C)C
• Canonical SMILES: CC1=CCCC(=C)[C@@H]2[C@H](CC1)C(C2)(C)C
• InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m1/s1
• InChIKey: NPNUFJAVOOONJE-BLOBHPOZSA-N

名称和登记号

名称

• IUPAC标准名: (1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
• IUPAC传统名: (1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

登记号

• PubChem SID: 164243997
• PubChem CID: 6429301

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.5193095
• LogD (pH = 7.4): 4.5193095
• Log P: 4.5193095
• 摩尔折射率: 67.4524 cm^3
• 极化性: 26.500362 Å^3
• 极化表面积: 0.0 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