2-({3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}methyl)-4,5-dihydro-1H-imidazole

• ChemBase编号: 183719
• 分子式: C15H24N2O2
• 平均质量: 264.36326
• 单一同位素质量: 264.18377802
• SMILES: C1(CC2=NCCN2)(OC[C@@]2(CO1)CC=C(CC2)C)C
• Canonical SMILES: CC1=CC[C@@]2(CC1)COC(OC2)(C)CC1=NCCN1
• InChI: InChI=1S/C15H24N2O2/c1-12-3-5-15(6-4-12)10-18-14(2,19-11-15)9-13-16-7-8-17-13/h3H,4-11H2,1-2H3,(H,16,17)/t14?,15-
• InChIKey: SNSDLOXRHHDIIJ-ZVGHLENZSA-N

名称和登记号

名称

• IUPAC标准名: 2-({3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}methyl)-4,5-dihydro-1H-imidazole
• IUPAC传统名: 2-({3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}methyl)-4,5-dihydro-1H-imidazole

登记号

• PubChem SID: 164239629
• PubChem CID: 3455350

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.8344815
• LogD (pH = 7.4): -0.38373047
• Log P: 1.5706865
• 摩尔折射率: 75.3582 cm^3
• 极化性: 29.178003 Å^3
• 极化表面积: 42.85 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds