1H,3H,3aH,4H,5H,6H,7H,8H,9H,10H,11H,13aH-cyclododeca[c]furan

• ChemBase编号: 119307
• 分子式: C14H24O
• 平均质量: 208.33976
• 单一同位素质量: 208.18271539
• SMILES: O1CC2C=CCCCCCCCCC2C1
• Canonical SMILES: C1CCCC=CC2C(CCCC1)COC2
• InChI: InChI=1S/C14H24O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h7,9,13-14H,1-6,8,10-12H2/b9-7+
• InChIKey: QQPBNXSJUXIDLT-VQHVLOKHSA-N

名称和登记号

名称

• IUPAC标准名: 1H,3H,3aH,4H,5H,6H,7H,8H,9H,10H,11H,13aH-cyclododeca[c]furan
• IUPAC传统名: 1H,3H,3aH,4H,5H,6H,7H,8H,9H,10H,11H,13aH-cyclododeca[c]furan
• 别名: (E)-1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydrocyclododeca[c]furan

登记号

• PubChem SID: 162107489
• PubChem CID: 5750515

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.9911942
• LogD (pH = 7.4): 3.9911942
• Log P: 3.9911942
• 摩尔折射率: 65.6191 cm^3
• 极化性: 25.530487 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

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds