1,5,5-trimethyl-3-methylidenecyclohex-1-ene

• ChemBase编号: 112656
• 分子式: C10H16
• 平均质量: 136.23404
• 单一同位素质量: 136.12520051
• SMILES: CC1=CC(=C)CC(C)(C)C1
• Canonical SMILES: CC1=CC(=C)CC(C1)(C)C
• InChI: InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5H,1,6-7H2,2-4H3
• InChIKey: ZKXYHQFGFMZPPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,5,5-trimethyl-3-methylidenecyclohex-1-ene
• IUPAC传统名: 1,5,5-trimethyl-3-methylidenecyclohex-1-ene
• 别名: 3-METHYLENE 1,5,5-TRIMETHYL CYCLOHEXENE-1

登记号

• CAS号: 16609-28-2
• PubChem SID: 162097387
• PubChem CID: 140110

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.0752912
• LogD (pH = 7.4): 3.0752912
• Log P: 3.0752912
• 摩尔折射率: 46.3544 cm^3
• 极化性: 18.013159 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

详细说明

MP Biomedicals - 05225191

MP Biomedicals Rare Chemical collection